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

CID 5287523
CID 5287523
CID 6419766
CID 6419766
CID 5327821
CID 5327821
CID 5327827
CID 5327827
CID 5327835
CID 5327835
CID 5327836
CID 5327836
CID 5327844
CID 5327844
CID 5327846
CID 5327846
CID 5327848
CID 5327848
CID 5327839
CID 5327839
CID 16010778
CID 16010778
CID 9814443
CID 9814443

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).