4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide

C22H23ClN4O2 — CID 50828271

IUPAC4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC(n3cnc4ccc(Cl)cc4c3=O)CC2)cc1
InChIInChI=1S/C22H23ClN4O2/c1-2-15-3-6-17(7-4-15)25-22(29)26-11-9-18(10-12-26)27-14-24-20-8-5-16(23)13-19(20)21(27)28/h3-8,13-14,18H,2,9-12H2,1H3,(H,25,29)
InChIKeyFFDGVTOIYFOMMJ-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.48
Rot. Bonds3

About 4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide

4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide (PubChem CID 50828271) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide
PubChem CID50828271
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCC(n3cnc4ccc(Cl)cc4c3=O)CC2)cc1
InChIInChI=1S/C22H23ClN4O2/c1-2-15-3-6-17(7-4-15)25-22(29)26-11-9-18(10-12-26)27-14-24-20-8-5-16(23)13-19(20)21(27)28/h3-8,13-14,18H,2,9-12H2,1H3,(H,25,29)
InChIKeyFFDGVTOIYFOMMJ-UHFFFAOYSA-N
XLogP4.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 50828339
4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
CID 46344313
N-(2-chloro-4-methylphenyl)-4-(6-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide
CID 50828397
4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 50828166
4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 42714240
4-(6-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 50828302
6-chloro-3-[1-(1,3-diethyl-6-nitro-2-oxobenzimidazole-5-carbonyl)piperidin-4-yl]quinazolin-4-one
CID 139907088
N-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide
CID 50828300
4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112138
N-(4-ethylphenyl)-3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidine-1-carboxamide
CID 163339504
1-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 20955888
(3R)-3-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95101218

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide (CID 50828271) is 4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide is CCc1ccc(NC(=O)N2CCC(n3cnc4ccc(Cl)cc4c3=O)CC2)cc1.
What is the InChIKey of 4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide?
The InChIKey is FFDGVTOIYFOMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-2-15-3-6-17(7-4-15)25-22(29)26-11-9-18(10-12-26)27-14-24-20-8-5-16(23)13-19(20)21(27)28/h3-8,13-14,18H,2,9-12H2,1H3,(H,25,29).
What are the key properties of 4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide?
4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 50828271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).