6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile

C99H89BrFN25O8S — CID 158028507

IUPAC6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile
SMILESC#Cc1cc2cnc(Nc3cccc(C(=O)N4CCOCC4)c3)nc2cc1OCc1cnccn1.C#Cc1ccc2nc(Nc3cc(CN4CC[C@H](F)C4)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc(CN3CCS(=O)(=O)CC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1.N#Cc1cc2cnc(Nc3cccc(C(=O)N4CCOCC4)c3)nc2cc1OCc1cnccn1
InChIInChI=1S/C26H22N6O3.C25H23FN6.C25H21N7O3.C23H23BrN6O2S/c1-2-18-12-20-15-29-26(31-23(20)14-24(18)35-17-22-16-27-6-7-28-22)30-21-5-3-4-19(13-21)25(33)32-8-10-34-11-9-32;1-3-17-4-5-24-20(8-17)12-27-25(30-24)29-23-10-18(14-32-7-6-22(26)16-32)9-19(11-23)21-13-28-31(2)15-21;26-13-18-10-19-14-29-25(31-22(19)12-23(18)35-16-21-15-27-4-5-28-21)30-20-3-1-2-17(11-20)24(33)32-6-8-34-9-7-32;1-29-15-19(13-26-29)17-8-16(14-30-4-6-33(31,32)7-5-30)9-21(11-17)27-23-25-12-18-10-20(24)2-3-22(18)28-23/h1,3-7,12-16H,8-11,17H2,(H,29,30,31);1,4-5,8-13,15,22H,6-7,14,16H2,2H3,(H,27,29,30);1-5,10-12,14-15H,6-9,16H2,(H,29,30,31);2-3,8-13,15H,4-7,14H2,1H3,(H,25,27,28)/t;22-;;/m.0../s1
InChIKeyFGWVSZAYFQTYFZ-HRRNSCMASA-N
MW1887.94 g/mol
LogP14.35
Rot. Bonds22

About 6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile

6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile (PubChem CID 158028507) has the molecular formula C99H89BrFN25O8S and a molecular weight of 1887.94 g/mol. Its IUPAC name is 6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile.

Molecular Properties

Compound Name6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile
PubChem CID158028507
Molecular FormulaC99H89BrFN25O8S
Molecular Weight1887.94 g/mol
Exact Mass1885.62
IUPAC Name6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile
SMILESC#Cc1cc2cnc(Nc3cccc(C(=O)N4CCOCC4)c3)nc2cc1OCc1cnccn1.C#Cc1ccc2nc(Nc3cc(CN4CC[C@H](F)C4)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc(CN3CCS(=O)(=O)CC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1.N#Cc1cc2cnc(Nc3cccc(C(=O)N4CCOCC4)c3)nc2cc1OCc1cnccn1
InChIInChI=1S/C26H22N6O3.C25H23FN6.C25H21N7O3.C23H23BrN6O2S/c1-2-18-12-20-15-29-26(31-23(20)14-24(18)35-17-22-16-27-6-7-28-22)30-21-5-3-4-19(13-21)25(33)32-8-10-34-11-9-32;1-3-17-4-5-24-20(8-17)12-27-25(30-24)29-23-10-18(14-32-7-6-22(26)16-32)9-19(11-23)21-13-28-31(2)15-21;26-13-18-10-19-14-29-25(31-22(19)12-23(18)35-16-21-15-27-4-5-28-21)30-20-3-1-2-17(11-20)24(33)32-6-8-34-9-7-32;1-29-15-19(13-26-29)17-8-16(14-30-4-6-33(31,32)7-5-30)9-21(11-17)27-23-25-12-18-10-20(24)2-3-22(18)28-23/h1,3-7,12-16H,8-11,17H2,(H,29,30,31);1,4-5,8-13,15,22H,6-7,14,16H2,2H3,(H,27,29,30);1-5,10-12,14-15H,6-9,16H2,(H,29,30,31);2-3,8-13,15H,4-7,14H2,1H3,(H,25,27,28)/t;22-;;/m.0../s1
InChIKeyFGWVSZAYFQTYFZ-HRRNSCMASA-N
XLogP14.35
TPSA380.39 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001887.94
LogP ≤ 514.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrimidin-5-ylmethoxy)quinazolin-2-amine;N-[3-(1,3-oxazol-5-yl)phenyl]-7-(pyrazin-2-ylmethoxy)-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 158574543
6-bromo-N-[3-[2-(dimethylamino)ethoxy]-5-(1-methylpyrazol-4-yl)phenyl]-8-fluoroquinazolin-2-amine;N-[3-[2-(dimethylamino)ethoxy]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynyl-8-fluoroquinazolin-2-amine;[3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]-5-(1-methylpyrazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3-[(6-ethynylquinazolin-2-yl)amino]-5-(morpholin-4-ylmethyl)benzamide
CID 158288491
6-bromo-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-(1-methylpyrazol-4-yl)-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]phenyl]methanone
CID 158513508
6-bromo-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;N-[3-[(dimethylamino)methyl]-5-(1-methylpyrazol-4-yl)phenyl]-6-ethynylquinazolin-2-amine;6-ethynyl-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-(1,3-oxazol-5-yl)phenyl]-7-(2-pyrazin-2-ylethoxy)quinazolin-2-amine;6-ethynyl-N-(4-piperidin-4-ylphenyl)-7-(pyridin-3-ylmethoxy)quinazolin-2-amine
CID 158716094
N-[3-(azetidin-3-yloxy)-5-(1-methylpyrazol-4-yl)phenyl]-6-bromo-8-methoxyquinazolin-2-amine;6-ethynyl-8-methoxy-N-[3-(1-methylpyrazol-4-yl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;morpholin-4-yl-[3-[[7-(pyrazin-2-ylmethoxy)-6-(1H-pyrazol-5-yl)quinazolin-2-yl]amino]phenyl]methanone;6-(1H-pyrazol-5-yl)-7-(pyridin-3-ylmethoxy)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]quinazolin-2-amine
CID 158784472
6-bromo-8-fluoro-N-[3-(1-methylpyrazol-4-yl)-5-(piperidin-1-ylmethyl)phenyl]quinazolin-2-amine;6-ethynyl-8-fluoro-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;6-ethynyl-8-methyl-N-[3-(1-methylpyrazol-4-yl)-5-[(3R)-pyrrolidin-3-yl]oxyphenyl]quinazolin-2-amine;2-(3-fluoroanilino)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-7-piperidin-4-yloxyquinazoline-6-carboxamide;2-(3-fluoroanilino)-7-piperidin-4-yloxy-N-(pyridin-3-ylmethyl)quinazoline-6-carboxamide
CID 161529407

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile?
The IUPAC name of 6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile (CID 158028507) is 6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile.
What is the SMILES notation for 6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile?
The canonical SMILES for 6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile is C#Cc1cc2cnc(Nc3cccc(C(=O)N4CCOCC4)c3)nc2cc1OCc1cnccn1.C#Cc1ccc2nc(Nc3cc(CN4CC[C@H](F)C4)cc(-c4cnn(C)c4)c3)ncc2c1.Cn1cc(-c2cc(CN3CCS(=O)(=O)CC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1.N#Cc1cc2cnc(Nc3cccc(C(=O)N4CCOCC4)c3)nc2cc1OCc1cnccn1.
What is the InChIKey of 6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile?
The InChIKey is FGWVSZAYFQTYFZ-HRRNSCMASA-N. The full InChI is InChI=1S/C26H22N6O3.C25H23FN6.C25H21N7O3.C23H23BrN6O2S/c1-2-18-12-20-15-29-26(31-23(20)14-24(18)35-17-22-16-27-6-7-28-22)30-21-5-3-4-19(13-21)25(33)32-8-10-34-11-9-32;1-3-17-4-5-24-20(8-17)12-27-25(30-24)29-23-10-18(14-32-7-6-22(26)16-32)9-19(11-23)21-13-28-31(2)15-21;26-13-18-10-19-14-29-25(31-22(19)12-23(18)35-16-21-15-27-4-5-28-21)30-20-3-1-2-17(11-20)24(33)32-6-8-34-9-7-32;1-29-15-19(13-26-29)17-8-16(14-30-4-6-33(31,32)7-5-30)9-21(11-17)27-23-25-12-18-10-20(24)2-3-22(18)28-23/h1,3-7,12-16H,8-11,17H2,(H,29,30,31);1,4-5,8-13,15,22H,6-7,14,16H2,2H3,(H,27,29,30);1-5,10-12,14-15H,6-9,16H2,(H,29,30,31);2-3,8-13,15H,4-7,14H2,1H3,(H,25,27,28)/t;22-;;/m.0../s1.
What are the key properties of 6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile?
6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile has a molecular weight of 1887.94 g/mol, XLogP of 14.35, 22 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;6-ethynyl-N-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)phenyl]quinazolin-2-amine;[3-[[6-ethynyl-7-(pyrazin-2-ylmethoxy)quinazolin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-[3-(morpholine-4-carbonyl)anilino]-7-(pyrazin-2-ylmethoxy)quinazoline-6-carbonitrile is sourced from PubChem (CID 158028507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).