4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide

C22H23ClN4O3 — CID 50828166

IUPAC4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(n2cnc3cc(Cl)ccc3c2=O)CC1
InChIInChI=1S/C22H23ClN4O3/c1-2-30-20-6-4-3-5-18(20)25-22(29)26-11-9-16(10-12-26)27-14-24-19-13-15(23)7-8-17(19)21(27)28/h3-8,13-14,16H,2,9-12H2,1H3,(H,25,29)
InChIKeyKCNIHNOJJNHZFC-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.32
Rot. Bonds4

About 4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide

4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide (PubChem CID 50828166) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide
PubChem CID50828166
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(n2cnc3cc(Cl)ccc3c2=O)CC1
InChIInChI=1S/C22H23ClN4O3/c1-2-30-20-6-4-3-5-18(20)25-22(29)26-11-9-16(10-12-26)27-14-24-19-13-15(23)7-8-17(19)21(27)28/h3-8,13-14,16H,2,9-12H2,1H3,(H,25,29)
InChIKeyKCNIHNOJJNHZFC-UHFFFAOYSA-N
XLogP4.32
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 50828271
4-(6-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 50828302
4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 50828339
N-(5-chloro-2-methylphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286530
N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide
CID 121151383
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
N-(2-ethoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098535
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761
N-(2-ethoxyphenyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 90522272
(3R)-3-(4-cyclopropyltriazol-1-yl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 129357356

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide (CID 50828166) is 4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCC(n2cnc3cc(Cl)ccc3c2=O)CC1.
What is the InChIKey of 4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is KCNIHNOJJNHZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-2-30-20-6-4-3-5-18(20)25-22(29)26-11-9-16(10-12-26)27-14-24-19-13-15(23)7-8-17(19)21(27)28/h3-8,13-14,16H,2,9-12H2,1H3,(H,25,29).
What are the key properties of 4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide?
4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 50828166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).