3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one

C16H19N3O2 — CID 7874856

IUPAC3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESC[C@H]1CCCN(C(=O)Cn2cnc3ccccc3c2=O)C1
InChIInChI=1S/C16H19N3O2/c1-12-5-4-8-18(9-12)15(20)10-19-11-17-14-7-3-2-6-13(14)16(19)21/h2-3,6-7,11-12H,4-5,8-10H2,1H3/t12-/m0/s1
InChIKeyMSGOCYLYFCYIIQ-LBPRGKRZSA-N
MW285.35 g/mol
LogP1.65
Rot. Bonds2

About 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one

3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 7874856) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID7874856
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESC[C@H]1CCCN(C(=O)Cn2cnc3ccccc3c2=O)C1
InChIInChI=1S/C16H19N3O2/c1-12-5-4-8-18(9-12)15(20)10-19-11-17-14-7-3-2-6-13(14)16(19)21/h2-3,6-7,11-12H,4-5,8-10H2,1H3/t12-/m0/s1
InChIKeyMSGOCYLYFCYIIQ-LBPRGKRZSA-N
XLogP1.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-6-nitroquinazolin-4-one
CID 7227422
3-[2-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 96574064
3-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 119397174
3-[2-oxo-2-[(3S)-3-pyrazin-2-yloxypiperidin-1-yl]ethyl]quinazolin-4-one
CID 100644880
3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 157013903
3-[2-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 122261218
(3R,4R)-4-cyclopropyl-1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120979644
3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 121021849
6-bromo-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 31069717
3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159971
3-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 100756593

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one (CID 7874856) is 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one is C[C@H]1CCCN(C(=O)Cn2cnc3ccccc3c2=O)C1.
What is the InChIKey of 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is MSGOCYLYFCYIIQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-5-4-8-18(9-12)15(20)10-19-11-17-14-7-3-2-6-13(14)16(19)21/h2-3,6-7,11-12H,4-5,8-10H2,1H3/t12-/m0/s1.
What are the key properties of 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one?
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 285.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 7874856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).