4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one

C30H21Cl2N5O — CID 22626590

IUPAC4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one
SMILESO=c1nc(-c2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc2n1Cc1ccncc1
InChIInChI=1S/C30H21Cl2N5O/c31-24-7-4-21(5-8-24)29(36-15-14-34-19-36)23-6-9-27-26(17-23)28(22-2-1-3-25(32)16-22)35-30(38)37(27)18-20-10-12-33-13-11-20/h1-17,19,29H,18H2
InChIKeyPFGFIPSFWXURJG-UHFFFAOYSA-N
MW538.44 g/mol
LogP6.65
Rot. Bonds6

About 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one

4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one (PubChem CID 22626590) has the molecular formula C30H21Cl2N5O and a molecular weight of 538.44 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one
PubChem CID22626590
Molecular FormulaC30H21Cl2N5O
Molecular Weight538.44 g/mol
Exact Mass537.11
IUPAC Name4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one
SMILESO=c1nc(-c2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc2n1Cc1ccncc1
InChIInChI=1S/C30H21Cl2N5O/c31-24-7-4-21(5-8-24)29(36-15-14-34-19-36)23-6-9-27-26(17-23)28(22-2-1-3-25(32)16-22)35-30(38)37(27)18-20-10-12-33-13-11-20/h1-17,19,29H,18H2
InChIKeyPFGFIPSFWXURJG-UHFFFAOYSA-N
XLogP6.65
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.44
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one (CID 22626590) is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one is O=c1nc(-c2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)n3ccnc3)ccc2n1Cc1ccncc1.
What is the InChIKey of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one?
The InChIKey is PFGFIPSFWXURJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21Cl2N5O/c31-24-7-4-21(5-8-24)29(36-15-14-34-19-36)23-6-9-27-26(17-23)28(22-2-1-3-25(32)16-22)35-30(38)37(27)18-20-10-12-33-13-11-20/h1-17,19,29H,18H2.
What are the key properties of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one?
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one has a molecular weight of 538.44 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-(pyridin-4-ylmethyl)quinazolin-2-one is sourced from PubChem (CID 22626590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).