7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine

C15H10Cl3N3 — CID 1490538

IUPAC7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine
SMILESClc1ccc(CNc2ncnc3cc(Cl)ccc23)c(Cl)c1
InChIInChI=1S/C15H10Cl3N3/c16-10-2-1-9(13(18)5-10)7-19-15-12-4-3-11(17)6-14(12)20-8-21-15/h1-6,8H,7H2,(H,19,20,21)
InChIKeyPTYBZGPHCHJODA-UHFFFAOYSA-N
MW338.63 g/mol
LogP5.20
Rot. Bonds3

About 7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine

7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine (PubChem CID 1490538) has the molecular formula C15H10Cl3N3 and a molecular weight of 338.63 g/mol. Its IUPAC name is 7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine
PubChem CID1490538
Molecular FormulaC15H10Cl3N3
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine
SMILESClc1ccc(CNc2ncnc3cc(Cl)ccc23)c(Cl)c1
InChIInChI=1S/C15H10Cl3N3/c16-10-2-1-9(13(18)5-10)7-19-15-12-4-3-11(17)6-14(12)20-8-21-15/h1-6,8H,7H2,(H,19,20,21)
InChIKeyPTYBZGPHCHJODA-UHFFFAOYSA-N
XLogP5.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.63
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine
CID 86809014
6-chloro-N-[(2-chlorophenyl)methyl]quinazolin-4-amine
CID 46879729
7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
CID 156733545
7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
CID 91647410
6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine
CID 121205983
[4-[[(7-chloroquinazolin-4-yl)amino]methyl]phenyl]urea
CID 86917015
[4-[[(7-chloroquinazolin-4-yl)amino]methyl]phenyl]boronic acid;formic acid
CID 158510752
1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine
CID 133346889
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol
CID 133307011
7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine
CID 166321938
5-[[(7-chloroquinazolin-4-yl)amino]methyl]-3,4-diethyl-1H-pyridazin-6-one
CID 133367409

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine?
The IUPAC name of 7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine (CID 1490538) is 7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine is Clc1ccc(CNc2ncnc3cc(Cl)ccc23)c(Cl)c1.
What is the InChIKey of 7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine?
The InChIKey is PTYBZGPHCHJODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N3/c16-10-2-1-9(13(18)5-10)7-19-15-12-4-3-11(17)6-14(12)20-8-21-15/h1-6,8H,7H2,(H,19,20,21).
What are the key properties of 7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine?
7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine has a molecular weight of 338.63 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 1490538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).