4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide

C31H28ClN3O3 — CID 5144965

IUPAC4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide
SMILESCCc1ccc(-n2c(C(CC)N(Cc3ccco3)C(=O)c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C31H28ClN3O3/c1-3-21-11-17-24(18-12-21)35-29(33-27-10-6-5-9-26(27)31(35)37)28(4-2)34(20-25-8-7-19-38-25)30(36)22-13-15-23(32)16-14-22/h5-19,28H,3-4,20H2,1-2H3
InChIKeyZTPXOQKKAIBXPT-UHFFFAOYSA-N
MW526.04 g/mol
LogP6.99
Rot. Bonds8

About 4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide

4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 5144965) has the molecular formula C31H28ClN3O3 and a molecular weight of 526.04 g/mol. Its IUPAC name is 4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID5144965
Molecular FormulaC31H28ClN3O3
Molecular Weight526.04 g/mol
Exact Mass525.18
IUPAC Name4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide
SMILESCCc1ccc(-n2c(C(CC)N(Cc3ccco3)C(=O)c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C31H28ClN3O3/c1-3-21-11-17-24(18-12-21)35-29(33-27-10-6-5-9-26(27)31(35)37)28(4-2)34(20-25-8-7-19-38-25)30(36)22-13-15-23(32)16-14-22/h5-19,28H,3-4,20H2,1-2H3
InChIKeyZTPXOQKKAIBXPT-UHFFFAOYSA-N
XLogP6.99
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.04
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
CID 5197721
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)-4-methyl-3-nitrobenzamide
CID 42722907
4-bromo-N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
CID 4014746
2-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 3343072
2-fluoro-N-(furan-2-ylmethyl)-N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42719281
N-butyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-4-fluorobenzamide
CID 5223620
2,4-dichloro-N-ethyl-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42722668
N-benzyl-2-(4-chlorophenoxy)-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]acetamide
CID 4240011
4-chloro-N-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42718880
3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea
CID 3607239
2-chloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723423
4-chloro-N-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-phenylethyl)benzamide
CID 3969732

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide (CID 5144965) is 4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide is CCc1ccc(-n2c(C(CC)N(Cc3ccco3)C(=O)c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is ZTPXOQKKAIBXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28ClN3O3/c1-3-21-11-17-24(18-12-21)35-29(33-27-10-6-5-9-26(27)31(35)37)28(4-2)34(20-25-8-7-19-38-25)30(36)22-13-15-23(32)16-14-22/h5-19,28H,3-4,20H2,1-2H3.
What are the key properties of 4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide?
4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 526.04 g/mol, XLogP of 6.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 5144965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).