6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one

C17H20ClN3O2 — CID 7587473

IUPAC6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCC[C@@H]1CCCCN1C(=O)Cn1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C17H20ClN3O2/c1-2-13-5-3-4-8-21(13)16(22)10-20-11-19-15-7-6-12(18)9-14(15)17(20)23/h6-7,9,11,13H,2-5,8,10H2,1H3/t13-/m1/s1
InChIKeyVIPHUZXOYLTNMH-CYBMUJFWSA-N
MW333.82 g/mol
LogP2.84
Rot. Bonds3

About 6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one

6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 7587473) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID7587473
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCC[C@@H]1CCCCN1C(=O)Cn1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C17H20ClN3O2/c1-2-13-5-3-4-8-21(13)16(22)10-20-11-19-15-7-6-12(18)9-14(15)17(20)23/h6-7,9,11,13H,2-5,8,10H2,1H3/t13-/m1/s1
InChIKeyVIPHUZXOYLTNMH-CYBMUJFWSA-N
XLogP2.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one with MolForge

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Related Compounds

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
ethyl (3S)-1-[2-(6-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylate
CID 30025892
3-[2-[(2S)-2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
CID 52515299
6,8-dichloro-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 18195115
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-6-bromoquinazolin-4-one;hydrochloride
CID 119435473
3-[2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 70771844
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(1-cyclopropylethyl)acetamide
CID 51216214
(2S)-1-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119365735
3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one
CID 47357057
butyl 2-(6-chloro-4-oxoquinazolin-3-yl)acetate
CID 78791515
2-(4-chloro-2-methylphenoxy)-1-(2-ethylpiperidin-1-yl)ethanone
CID 4051969
3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 47017268

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one (CID 7587473) is 6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one is CC[C@@H]1CCCCN1C(=O)Cn1cnc2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is VIPHUZXOYLTNMH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-2-13-5-3-4-8-21(13)16(22)10-20-11-19-15-7-6-12(18)9-14(15)17(20)23/h6-7,9,11,13H,2-5,8,10H2,1H3/t13-/m1/s1.
What are the key properties of 6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one?
6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 333.82 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 7587473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).