7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C18H13Cl2N5 — CID 10155985

IUPAC7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(-c3ccc(Cl)cc3)nc3cc(Cl)ccc23)n[nH]1
InChIInChI=1S/C18H13Cl2N5/c1-10-8-16(25-24-10)22-18-14-7-6-13(20)9-15(14)21-17(23-18)11-2-4-12(19)5-3-11/h2-9H,1H3,(H2,21,22,23,24,25)
InChIKeyLZHRROXOKIGWSV-UHFFFAOYSA-N
MW370.24 g/mol
LogP5.38
Rot. Bonds3

About 7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 10155985) has the molecular formula C18H13Cl2N5 and a molecular weight of 370.24 g/mol. Its IUPAC name is 7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID10155985
Molecular FormulaC18H13Cl2N5
Molecular Weight370.24 g/mol
Exact Mass369.05
IUPAC Name7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2nc(-c3ccc(Cl)cc3)nc3cc(Cl)ccc23)n[nH]1
InChIInChI=1S/C18H13Cl2N5/c1-10-8-16(25-24-10)22-18-14-7-6-13(20)9-15(14)21-17(23-18)11-2-4-12(19)5-3-11/h2-9H,1H3,(H2,21,22,23,24,25)
InChIKeyLZHRROXOKIGWSV-UHFFFAOYSA-N
XLogP5.38
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.24
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 146644992
[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylquinazolin-7-yl]methanesulfinic acid
CID 66806225
2-[2-(4-chlorophenyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-7-yl]-N-methylacetamide
CID 59529629
N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide
CID 10156128
2-(4-chlorophenyl)-6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 25125406
N-[4-[7-(cyclopropylamino)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]prop-2-enamide
CID 175345518
7-benzyl-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 11235783
6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 134816680
6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazol-2-amine
CID 91315344
N-[4-[7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]phenyl]prop-2-enamide
CID 166517368
7-chloro-2-(4-fluorophenyl)quinazolin-4-amine
CID 61026323
2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10270356

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 10155985) is 7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2nc(-c3ccc(Cl)cc3)nc3cc(Cl)ccc23)n[nH]1.
What is the InChIKey of 7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is LZHRROXOKIGWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5/c1-10-8-16(25-24-10)22-18-14-7-6-13(20)9-15(14)21-17(23-18)11-2-4-12(19)5-3-11/h2-9H,1H3,(H2,21,22,23,24,25).
What are the key properties of 7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 370.24 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 10155985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).