N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine

C25H26Cl2N6O2 — CID 54337725

IUPACN-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3cc(-c4ccc(Cl)c(Cl)c4)[nH]n3)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C25H26Cl2N6O2/c1-33-7-5-15(6-8-33)13-35-23-11-21-17(10-22(23)34-2)25(29-14-28-21)30-24-12-20(31-32-24)16-3-4-18(26)19(27)9-16/h3-4,9-12,14-15H,5-8,13H2,1-2H3,(H2,28,29,30,31,32)
InChIKeyTWRYAZVANFGPNA-UHFFFAOYSA-N
MW513.43 g/mol
LogP5.80
Rot. Bonds7

About N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine

N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine (PubChem CID 54337725) has the molecular formula C25H26Cl2N6O2 and a molecular weight of 513.43 g/mol. Its IUPAC name is N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
PubChem CID54337725
Molecular FormulaC25H26Cl2N6O2
Molecular Weight513.43 g/mol
Exact Mass512.15
IUPAC NameN-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3cc(-c4ccc(Cl)c(Cl)c4)[nH]n3)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C25H26Cl2N6O2/c1-33-7-5-15(6-8-33)13-35-23-11-21-17(10-22(23)34-2)25(29-14-28-21)30-24-12-20(31-32-24)16-3-4-18(26)19(27)9-16/h3-4,9-12,14-15H,5-8,13H2,1-2H3,(H2,28,29,30,31,32)
InChIKeyTWRYAZVANFGPNA-UHFFFAOYSA-N
XLogP5.80
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.43
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5330175
7-[[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichlorophenyl)-6-methoxyquinazolin-4-amine
CID 10073562
N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 68738104
N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]formamide
CID 146180749
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]quinazolin-4-amine
CID 10391639
N-(3,4-dichlorophenyl)-7-[(4-ethyl-1-propylpiperazin-2-yl)methoxy]-6-methoxyquinazolin-4-amine
CID 70795309
6-methoxy-N-(5-phenyl-1H-pyrazol-3-yl)-7-(1-piperidin-4-ylethoxy)quinazolin-4-amine
CID 70214730
N-[3-bromo-4-(2-fluorophenoxy)phenyl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 166515235
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[(1-methylsulfonylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 11755502
3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide
CID 166515151
N-(3,4-dichlorophenyl)-6-methoxy-7-(oxepan-2-ylmethoxy)quinazolin-4-amine
CID 153068829
7-[[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methoxy]-N-(4-chloro-2-fluoro-3-methylphenyl)-6-methoxyquinazolin-4-amine
CID 118457220

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
The IUPAC name of N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine (CID 54337725) is N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine.
What is the SMILES notation for N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
The canonical SMILES for N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine is COc1cc2c(Nc3cc(-c4ccc(Cl)c(Cl)c4)[nH]n3)ncnc2cc1OCC1CCN(C)CC1.
What is the InChIKey of N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
The InChIKey is TWRYAZVANFGPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N6O2/c1-33-7-5-15(6-8-33)13-35-23-11-21-17(10-22(23)34-2)25(29-14-28-21)30-24-12-20(31-32-24)16-3-4-18(26)19(27)9-16/h3-4,9-12,14-15H,5-8,13H2,1-2H3,(H2,28,29,30,31,32).
What are the key properties of N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine has a molecular weight of 513.43 g/mol, XLogP of 5.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine is sourced from PubChem (CID 54337725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).