6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine

C20H13Cl3N4 — CID 71180077

IUPAC6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1cc(Cl)cc2c(Nc3ccc(Cl)c(Cl)c3)nc(-c3cccnc3)nc12
InChIInChI=1S/C20H13Cl3N4/c1-11-7-13(21)8-15-18(11)26-19(12-3-2-6-24-10-12)27-20(15)25-14-4-5-16(22)17(23)9-14/h2-10H,1H3,(H,25,26,27)
InChIKeyYQFHMQQDIFQWCE-UHFFFAOYSA-N
MW415.71 g/mol
LogP6.70
Rot. Bonds3

About 6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine

6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180077) has the molecular formula C20H13Cl3N4 and a molecular weight of 415.71 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180077
Molecular FormulaC20H13Cl3N4
Molecular Weight415.71 g/mol
Exact Mass414.02
IUPAC Name6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1cc(Cl)cc2c(Nc3ccc(Cl)c(Cl)c3)nc(-c3cccnc3)nc12
InChIInChI=1S/C20H13Cl3N4/c1-11-7-13(21)8-15-18(11)26-19(12-3-2-6-24-10-12)27-20(15)25-14-4-5-16(22)17(23)9-14/h2-10H,1H3,(H,25,26,27)
InChIKeyYQFHMQQDIFQWCE-UHFFFAOYSA-N
XLogP6.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.71
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3,5-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180045
N-(3-chloro-4-fluorophenyl)-8-methyl-6-(morpholin-4-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180599
N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180072
8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180050
N-(3,5-dichlorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 1387933
6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274424
N-(4-chloro-3-methylphenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71274391
N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 91965281
7-chloro-N-(3,5-dichlorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71179804
N-(3,4-dichlorophenyl)-6-ethoxy-7-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 71180453
N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 71691013
N-(3-chloro-4-methylphenyl)-6-(2-methoxyethoxy)-2-pyridin-3-ylquinazolin-4-amine
CID 144501300

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 71180077) is 6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine is Cc1cc(Cl)cc2c(Nc3ccc(Cl)c(Cl)c3)nc(-c3cccnc3)nc12.
What is the InChIKey of 6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is YQFHMQQDIFQWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3N4/c1-11-7-13(21)8-15-18(11)26-19(12-3-2-6-24-10-12)27-20(15)25-14-4-5-16(22)17(23)9-14/h2-10H,1H3,(H,25,26,27).
What are the key properties of 6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine?
6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 415.71 g/mol, XLogP of 6.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).