(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid

C17H19N3O4 — CID 124697529

IUPAC(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid
SMILESCc1cccc2c(=O)n(CC(=O)N3CCC[C@H](C(=O)O)C3)cnc12
InChIInChI=1S/C17H19N3O4/c1-11-4-2-6-13-15(11)18-10-20(16(13)22)9-14(21)19-7-3-5-12(8-19)17(23)24/h2,4,6,10,12H,3,5,7-9H2,1H3,(H,23,24)/t12-/m0/s1
InChIKeyNUQICXHBQMKESB-LBPRGKRZSA-N
MW329.36 g/mol
LogP1.03
Rot. Bonds3

About (3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid

(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid (PubChem CID 124697529) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid
PubChem CID124697529
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid
SMILESCc1cccc2c(=O)n(CC(=O)N3CCC[C@H](C(=O)O)C3)cnc12
InChIInChI=1S/C17H19N3O4/c1-11-4-2-6-13-15(11)18-10-20(16(13)22)9-14(21)19-7-3-5-12(8-19)17(23)24/h2,4,6,10,12H,3,5,7-9H2,1H3,(H,23,24)/t12-/m0/s1
InChIKeyNUQICXHBQMKESB-LBPRGKRZSA-N
XLogP1.03
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide
CID 52519291
8-methyl-3-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 39443064
3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27661543
8-methyl-3-[2-[4-(4-methylbenzoyl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55956332
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27873849
8-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 27872511
8-methyl-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 51264656
3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 60556980
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27006126
2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 134061926
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092125
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid (CID 124697529) is (3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid is Cc1cccc2c(=O)n(CC(=O)N3CCC[C@H](C(=O)O)C3)cnc12.
What is the InChIKey of (3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is NUQICXHBQMKESB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-4-2-6-13-15(11)18-10-20(16(13)22)9-14(21)19-7-3-5-12(8-19)17(23)24/h2,4,6,10,12H,3,5,7-9H2,1H3,(H,23,24)/t12-/m0/s1.
What are the key properties of (3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid?
(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 124697529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).