2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline

C70H72FN19O8S2 — CID 158602610

IUPAC2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline
SMILESCOc1cc2ncnc(N3CCN(c4ncc(Nc5ccc(F)cc5)cn4)CC3)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(OCc5cccs5)cn4)CC3)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(OCc5ccsc5)cn4)CC3)c2cc1OC
InChIInChI=1S/C24H24FN7O2.2C23H24N6O3S/c1-33-21-11-19-20(12-22(21)34-2)28-15-29-23(19)31-7-9-32(10-8-31)24-26-13-18(14-27-24)30-17-5-3-16(25)4-6-17;1-30-20-9-18-19(10-21(20)31-2)26-15-27-22(18)28-4-6-29(7-5-28)23-24-11-17(12-25-23)32-13-16-3-8-33-14-16;1-30-20-10-18-19(11-21(20)31-2)26-15-27-22(18)28-5-7-29(8-6-28)23-24-12-16(13-25-23)32-14-17-4-3-9-33-17/h3-6,11-15,30H,7-10H2,1-2H3;3,8-12,14-15H,4-7,13H2,1-2H3;3-4,9-13,15H,5-8,14H2,1-2H3
InChIKeyHVVDCJVVTDUQGT-UHFFFAOYSA-N
MW1390.60 g/mol
LogP10.45
Rot. Bonds20

About 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline

2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline (PubChem CID 158602610) has the molecular formula C70H72FN19O8S2 and a molecular weight of 1390.60 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline
PubChem CID158602610
Molecular FormulaC70H72FN19O8S2
Molecular Weight1390.60 g/mol
Exact Mass1389.52
IUPAC Name2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline
SMILESCOc1cc2ncnc(N3CCN(c4ncc(Nc5ccc(F)cc5)cn4)CC3)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(OCc5cccs5)cn4)CC3)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(OCc5ccsc5)cn4)CC3)c2cc1OC
InChIInChI=1S/C24H24FN7O2.2C23H24N6O3S/c1-33-21-11-19-20(12-22(21)34-2)28-15-29-23(19)31-7-9-32(10-8-31)24-26-13-18(14-27-24)30-17-5-3-16(25)4-6-17;1-30-20-9-18-19(10-21(20)31-2)26-15-27-22(18)28-4-6-29(7-5-28)23-24-11-17(12-25-23)32-13-16-3-8-33-14-16;1-30-20-10-18-19(11-21(20)31-2)26-15-27-22(18)28-5-7-29(8-6-28)23-24-12-16(13-25-23)32-14-17-4-3-9-33-17/h3-6,11-15,30H,7-10H2,1-2H3;3,8-12,14-15H,4-7,13H2,1-2H3;3-4,9-13,15H,5-8,14H2,1-2H3
InChIKeyHVVDCJVVTDUQGT-UHFFFAOYSA-N
XLogP10.45
TPSA259.99 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001390.60
LogP ≤ 510.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline with MolForge

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

Launch Full Analysis

Related Compounds

4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-pyridin-4-ylpiperazine-1-carbothioamide
CID 44394571
4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-thiophen-3-ylpiperazine-1-carbothioamide
CID 44394905
N-(4-fluorophenyl)-2-[4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]piperazin-1-yl]pyrimidin-5-amine
CID 117619923
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 117619924
4-[4-[5-(4-Fluorophenyl)sulfanylpyrimidin-2-yl]piperazin-1-yl]-7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 117620089
N-[(6-amino-3-pyridinyl)methyl]-4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]piperazine-1-carbothioamide
CID 44394612
4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-[6-(trifluoromethyl)-3-pyridinyl]piperazine-1-carbothioamide
CID 44394709
4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-pyridin-3-ylpiperazine-1-carbothioamide
CID 44394781
4-[6-methoxy-7-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-N-(1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 44394842
Thiophen-3-ylmethyl 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carbodithioate
CID 155537443
6,7-Dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline
CID 86296993
6,7-Dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline
CID 117619894

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline?
The IUPAC name of 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline (CID 158602610) is 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline is COc1cc2ncnc(N3CCN(c4ncc(Nc5ccc(F)cc5)cn4)CC3)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(OCc5cccs5)cn4)CC3)c2cc1OC.COc1cc2ncnc(N3CCN(c4ncc(OCc5ccsc5)cn4)CC3)c2cc1OC.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline?
The InChIKey is HVVDCJVVTDUQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2.2C23H24N6O3S/c1-33-21-11-19-20(12-22(21)34-2)28-15-29-23(19)31-7-9-32(10-8-31)24-26-13-18(14-27-24)30-17-5-3-16(25)4-6-17;1-30-20-9-18-19(10-21(20)31-2)26-15-27-22(18)28-4-6-29(7-5-28)23-24-11-17(12-25-23)32-13-16-3-8-33-14-16;1-30-20-10-18-19(11-21(20)31-2)26-15-27-22(18)28-5-7-29(8-6-28)23-24-12-16(13-25-23)32-14-17-4-3-9-33-17/h3-6,11-15,30H,7-10H2,1-2H3;3,8-12,14-15H,4-7,13H2,1-2H3;3-4,9-13,15H,5-8,14H2,1-2H3.
What are the key properties of 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline?
2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline has a molecular weight of 1390.60 g/mol, XLogP of 10.45, 20 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)pyrimidin-5-amine;6,7-dimethoxy-4-[4-[5-(thiophen-2-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline;6,7-dimethoxy-4-[4-[5-(thiophen-3-ylmethoxy)pyrimidin-2-yl]piperazin-1-yl]quinazoline is sourced from PubChem (CID 158602610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).