N-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine

C18H12ClN3O — CID 91964196

IUPACN-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine
SMILESClc1ccccc1Nc1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C18H12ClN3O/c19-13-7-2-4-9-15(13)21-17-12-6-1-3-8-14(12)20-18(22-17)16-10-5-11-23-16/h1-11H,(H,20,21,22)
InChIKeyHMTZJFOLFUJDPF-UHFFFAOYSA-N
MW321.77 g/mol
LogP5.29
Rot. Bonds3

About N-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine

N-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine (PubChem CID 91964196) has the molecular formula C18H12ClN3O and a molecular weight of 321.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine
PubChem CID91964196
Molecular FormulaC18H12ClN3O
Molecular Weight321.77 g/mol
Exact Mass321.07
IUPAC NameN-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine
SMILESClc1ccccc1Nc1nc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C18H12ClN3O/c19-13-7-2-4-9-15(13)21-17-12-6-1-3-8-14(12)20-18(22-17)16-10-5-11-23-16/h1-11H,(H,20,21,22)
InChIKeyHMTZJFOLFUJDPF-UHFFFAOYSA-N
XLogP5.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.77
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine (CID 91964196) is N-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine is Clc1ccccc1Nc1nc(-c2ccco2)nc2ccccc12.
What is the InChIKey of N-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine?
The InChIKey is HMTZJFOLFUJDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O/c19-13-7-2-4-9-15(13)21-17-12-6-1-3-8-14(12)20-18(22-17)16-10-5-11-23-16/h1-11H,(H,20,21,22).
What are the key properties of N-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine?
N-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine has a molecular weight of 321.77 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(furan-2-yl)quinazolin-4-amine is sourced from PubChem (CID 91964196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).