6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine

C21H17ClN4O — CID 71274424

IUPAC6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cc(Nc2nc(-c3cccnc3)nc3ccc(Cl)cc23)ccc1C
InChIInChI=1S/C21H17ClN4O/c1-13-5-7-16(11-19(13)27-2)24-21-17-10-15(22)6-8-18(17)25-20(26-21)14-4-3-9-23-12-14/h3-12H,1-2H3,(H,24,25,26)
InChIKeyLWZNTZYHSOKRTH-UHFFFAOYSA-N
MW376.85 g/mol
LogP5.41
Rot. Bonds4

About 6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine

6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71274424) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71274424
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1cc(Nc2nc(-c3cccnc3)nc3ccc(Cl)cc23)ccc1C
InChIInChI=1S/C21H17ClN4O/c1-13-5-7-16(11-19(13)27-2)24-21-17-10-15(22)6-8-18(17)25-20(26-21)14-4-3-9-23-12-14/h3-12H,1-2H3,(H,24,25,26)
InChIKeyLWZNTZYHSOKRTH-UHFFFAOYSA-N
XLogP5.41
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.85
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274391
7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71179804
6-methoxy-2-pyridin-3-yl-N-quinolin-6-ylquinazolin-4-amine
CID 71274406
N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
CID 144501300
6-chloro-N-(2,5-dichloro-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine;(2Z,4Z)-hexa-2,4-diene
CID 144500921
N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71180453
7-[(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)amino]chromen-2-one
CID 89417197
N-(2,6-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274367
N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzothiazol-6-amine
CID 71273583
N-(3,5-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71273959
2-methoxy-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-benzoxazol-6-amine
CID 71180927
N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 71691013

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71274424) is 6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine is COc1cc(Nc2nc(-c3cccnc3)nc3ccc(Cl)cc23)ccc1C.
What is the InChIKey of 6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is LWZNTZYHSOKRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-13-5-7-16(11-19(13)27-2)24-21-17-10-15(22)6-8-18(17)25-20(26-21)14-4-3-9-23-12-14/h3-12H,1-2H3,(H,24,25,26).
What are the key properties of 6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 376.85 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71274424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).