7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine

C25H25ClN6O — CID 141446251

IUPAC7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine
SMILESCOc1nc(N2CCN(C)CC2)ccc1Nc1ncc2ccc(Cl)c(-c3ccccc3)c2n1
InChIInChI=1S/C25H25ClN6O/c1-31-12-14-32(15-13-31)21-11-10-20(24(29-21)33-2)28-25-27-16-18-8-9-19(26)22(23(18)30-25)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,27,28,30)
InChIKeyWGWMJTPTZXXIQL-UHFFFAOYSA-N
MW460.97 g/mol
LogP4.85
Rot. Bonds5

About 7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine

7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine (PubChem CID 141446251) has the molecular formula C25H25ClN6O and a molecular weight of 460.97 g/mol. Its IUPAC name is 7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine.

Molecular Properties

Compound Name7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine
PubChem CID141446251
Molecular FormulaC25H25ClN6O
Molecular Weight460.97 g/mol
Exact Mass460.18
IUPAC Name7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine
SMILESCOc1nc(N2CCN(C)CC2)ccc1Nc1ncc2ccc(Cl)c(-c3ccccc3)c2n1
InChIInChI=1S/C25H25ClN6O/c1-31-12-14-32(15-13-31)21-11-10-20(24(29-21)33-2)28-25-27-16-18-8-9-19(26)22(23(18)30-25)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,27,28,30)
InChIKeyWGWMJTPTZXXIQL-UHFFFAOYSA-N
XLogP4.85
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[5-chloro-2-[[2-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]-methylsulfonylamino]phenyl]methanesulfonamide
CID 165395046
5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[6-(4-methylpiperazin-1-yl)-2-(1,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-2,4-diamine
CID 175579454
5-bromo-N-[6-(4-cyclopropylpiperazin-1-yl)-2-methoxy-3-pyridinyl]pyrimidin-2-amine
CID 175789064
N-[6-[[5-chloro-2-[[2-methoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]amino]pyrimidin-4-yl]amino]quinoxalin-5-yl]-N-cyclopropylmethanesulfonamide
CID 169278212
5-chloro-2-N-[6-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-3-pyridinyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
CID 155141702
N-(2,5-dichlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888061
N-(5-chloro-2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888006
4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 155141687
N-[2-[[5-chloro-2-[[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]phenyl]methanesulfonamide
CID 165395245
N-(3-chloro-4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112888005
N-[2-[[5-chloro-2-[[6-(4-hydroxypiperidin-1-yl)-2-methoxy-3-pyridinyl]amino]pyrimidin-4-yl]amino]-5-fluorophenyl]methanesulfonamide
CID 165395185
7-fluoro-N-[3-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-8-phenylquinazolin-2-amine
CID 141446359

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine?
The IUPAC name of 7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine (CID 141446251) is 7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine.
What is the SMILES notation for 7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine?
The canonical SMILES for 7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine is COc1nc(N2CCN(C)CC2)ccc1Nc1ncc2ccc(Cl)c(-c3ccccc3)c2n1.
What is the InChIKey of 7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine?
The InChIKey is WGWMJTPTZXXIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O/c1-31-12-14-32(15-13-31)21-11-10-20(24(29-21)33-2)28-25-27-16-18-8-9-19(26)22(23(18)30-25)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,27,28,30).
What are the key properties of 7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine?
7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine has a molecular weight of 460.97 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-methoxy-6-(4-methylpiperazin-1-yl)-3-pyridinyl]-8-phenylquinazolin-2-amine is sourced from PubChem (CID 141446251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).