2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine

C18H18ClN3 — CID 899344

IUPAC2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine
SMILESCCN(CC)c1nc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C18H18ClN3/c1-3-22(4-2)18-15-7-5-6-8-16(15)20-17(21-18)13-9-11-14(19)12-10-13/h5-12H,3-4H2,1-2H3
InChIKeyODSHMDNOAKWWIH-UHFFFAOYSA-N
MW311.82 g/mol
LogP4.80
Rot. Bonds4

About 2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine

2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine (PubChem CID 899344) has the molecular formula C18H18ClN3 and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine
PubChem CID899344
Molecular FormulaC18H18ClN3
Molecular Weight311.82 g/mol
Exact Mass311.12
IUPAC Name2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine
SMILESCCN(CC)c1nc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C18H18ClN3/c1-3-22(4-2)18-15-7-5-6-8-16(15)20-17(21-18)13-9-11-14(19)12-10-13/h5-12H,3-4H2,1-2H3
InChIKeyODSHMDNOAKWWIH-UHFFFAOYSA-N
XLogP4.80
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine (CID 899344) is 2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine is CCN(CC)c1nc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine?
The InChIKey is ODSHMDNOAKWWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3/c1-3-22(4-2)18-15-7-5-6-8-16(15)20-17(21-18)13-9-11-14(19)12-10-13/h5-12H,3-4H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine?
2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine has a molecular weight of 311.82 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,N-diethylquinazolin-4-amine is sourced from PubChem (CID 899344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).