7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine

C17H15Cl2N3 — CID 166321938

IUPAC7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine
SMILESCC(CNc1ncnc2cc(Cl)ccc12)c1cccc(Cl)c1
InChIInChI=1S/C17H15Cl2N3/c1-11(12-3-2-4-13(18)7-12)9-20-17-15-6-5-14(19)8-16(15)21-10-22-17/h2-8,10-11H,9H2,1H3,(H,20,21,22)
InChIKeyMCWKROJOEWDSRV-UHFFFAOYSA-N
MW332.23 g/mol
LogP5.15
Rot. Bonds4

About 7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine

7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine (PubChem CID 166321938) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine
PubChem CID166321938
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC Name7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine
SMILESCC(CNc1ncnc2cc(Cl)ccc12)c1cccc(Cl)c1
InChIInChI=1S/C17H15Cl2N3/c1-11(12-3-2-4-13(18)7-12)9-20-17-15-6-5-14(19)8-16(15)21-10-22-17/h2-8,10-11H,9H2,1H3,(H,20,21,22)
InChIKeyMCWKROJOEWDSRV-UHFFFAOYSA-N
XLogP5.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.23
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(7-chloroquinazolin-4-yl)-2-N-phenylpropane-1,2-diamine
CID 133346889
4-N-(2-phenylpropyl)quinazoline-4,7-diamine
CID 104591254
7-chloro-N-(3-methylbutyl)quinazolin-4-amine;ethane
CID 156733545
2-[(7-chloroquinazolin-4-yl)amino]-1-(furan-2-yl)ethanol
CID 110889677
2-[(7-chloroquinazolin-4-yl)amino]-1-cyclopentylethanol
CID 133307011
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
7-chloro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 1475072
2-[(7-chloroquinazolin-4-yl)amino]butan-1-ol
CID 86910047
7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine
CID 1490538
3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide
CID 133300829
5-bromo-N-[2-(3-chlorophenyl)propyl]quinazolin-2-amine
CID 166321941
N-[2-(3-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 66436956

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine?
The IUPAC name of 7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine (CID 166321938) is 7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine is CC(CNc1ncnc2cc(Cl)ccc12)c1cccc(Cl)c1.
What is the InChIKey of 7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine?
The InChIKey is MCWKROJOEWDSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3/c1-11(12-3-2-4-13(18)7-12)9-20-17-15-6-5-14(19)8-16(15)21-10-22-17/h2-8,10-11H,9H2,1H3,(H,20,21,22).
What are the key properties of 7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine?
7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine has a molecular weight of 332.23 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(3-chlorophenyl)propyl]quinazolin-4-amine is sourced from PubChem (CID 166321938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).