4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide

C23H18ClN3O2S — CID 24526797

IUPAC4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C23H18ClN3O2S/c24-19-7-3-1-5-17(19)13-27-22(29)18-6-2-4-8-20(18)26-23(27)30-14-15-9-11-16(12-10-15)21(25)28/h1-12H,13-14H2,(H2,25,28)
InChIKeyATRBWPCFQQYFFD-UHFFFAOYSA-N
MW435.94 g/mol
LogP4.49
Rot. Bonds6

About 4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide

4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide (PubChem CID 24526797) has the molecular formula C23H18ClN3O2S and a molecular weight of 435.94 g/mol. Its IUPAC name is 4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide.

Molecular Properties

Compound Name4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
PubChem CID24526797
Molecular FormulaC23H18ClN3O2S
Molecular Weight435.94 g/mol
Exact Mass435.08
IUPAC Name4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C23H18ClN3O2S/c24-19-7-3-1-5-17(19)13-27-22(29)18-6-2-4-8-20(18)26-23(27)30-14-15-9-11-16(12-10-15)21(25)28/h1-12H,13-14H2,(H2,25,28)
InChIKeyATRBWPCFQQYFFD-UHFFFAOYSA-N
XLogP4.49
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.94
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 51365254
4-[[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 26962068
(2S)-2-[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7235274
2-[(2-chlorophenyl)methylsulfanyl]-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 51365422
4-[[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 26970971
2-(1,3-benzoxazol-2-ylmethylsulfanyl)-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 39803813
4-[(3-ethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoic acid
CID 45471479
3-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 51365745
3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chlorophenyl)methylsulfanyl]quinazolin-4-one
CID 4596521
4-[[2-[(4-chlorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]methyl]-N-cyclopropylbenzamide
CID 46351140
4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide
CID 27350175
4-[[3-(5-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide
CID 27592797

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide?
The IUPAC name of 4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide (CID 24526797) is 4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide.
What is the SMILES notation for 4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide?
The canonical SMILES for 4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide is NC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)cc1.
What is the InChIKey of 4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide?
The InChIKey is ATRBWPCFQQYFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2S/c24-19-7-3-1-5-17(19)13-27-22(29)18-6-2-4-8-20(18)26-23(27)30-14-15-9-11-16(12-10-15)21(25)28/h1-12H,13-14H2,(H2,25,28).
What are the key properties of 4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide?
4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide has a molecular weight of 435.94 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzamide is sourced from PubChem (CID 24526797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).