(3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide

C16H17ClN4O3 — CID 39011474

IUPAC(3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)Cn2cnc3cc(Cl)ccc3c2=O)C1
InChIInChI=1S/C16H17ClN4O3/c17-11-3-4-12-13(6-11)19-9-21(16(12)24)8-14(22)20-5-1-2-10(7-20)15(18)23/h3-4,6,9-10H,1-2,5,7-8H2,(H2,18,23)/t10-/m1/s1
InChIKeyPYCQKNXLOJPAJJ-SNVBAGLBSA-N
MW348.79 g/mol
LogP0.77
Rot. Bonds3

About (3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide

(3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide (PubChem CID 39011474) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is (3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide
PubChem CID39011474
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name(3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)Cn2cnc3cc(Cl)ccc3c2=O)C1
InChIInChI=1S/C16H17ClN4O3/c17-11-3-4-12-13(6-11)19-9-21(16(12)24)8-14(22)20-5-1-2-10(7-20)15(18)23/h3-4,6,9-10H,1-2,5,7-8H2,(H2,18,23)/t10-/m1/s1
InChIKeyPYCQKNXLOJPAJJ-SNVBAGLBSA-N
XLogP0.77
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-1-[2-(6-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylate
CID 30025892
1-[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
CID 78838915
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid
CID 59842863
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
6-chloro-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7587468
1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-3-carboxamide
CID 51075685
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-6-bromoquinazolin-4-one
CID 119378564
(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 8578422
3-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-6-chloroquinazolin-4-one
CID 8565202
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 78784829
1-[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]piperidine-3-carboxamide
CID 42952360

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide (CID 39011474) is (3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(C(=O)Cn2cnc3cc(Cl)ccc3c2=O)C1.
What is the InChIKey of (3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is PYCQKNXLOJPAJJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c17-11-3-4-12-13(6-11)19-9-21(16(12)24)8-14(22)20-5-1-2-10(7-20)15(18)23/h3-4,6,9-10H,1-2,5,7-8H2,(H2,18,23)/t10-/m1/s1.
What are the key properties of (3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide?
(3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 39011474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).