2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide

C20H26N4O3 — CID 52519291

IUPAC2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide
SMILESCc1cccc2c(=O)n(CC(=O)N3CCC[C@H](NC(=O)C(C)C)C3)cnc12
InChIInChI=1S/C20H26N4O3/c1-13(2)19(26)22-15-7-5-9-23(10-15)17(25)11-24-12-21-18-14(3)6-4-8-16(18)20(24)27/h4,6,8,12-13,15H,5,7,9-11H2,1-3H3,(H,22,26)/t15-/m0/s1
InChIKeyNDVRVOWQXLVZQL-HNNXBMFYSA-N
MW370.45 g/mol
LogP1.47
Rot. Bonds4

About 2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide

2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide (PubChem CID 52519291) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide
PubChem CID52519291
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide
SMILESCc1cccc2c(=O)n(CC(=O)N3CCC[C@H](NC(=O)C(C)C)C3)cnc12
InChIInChI=1S/C20H26N4O3/c1-13(2)19(26)22-15-7-5-9-23(10-15)17(25)11-24-12-21-18-14(3)6-4-8-16(18)20(24)27/h4,6,8,12-13,15H,5,7,9-11H2,1-3H3,(H,22,26)/t15-/m0/s1
InChIKeyNDVRVOWQXLVZQL-HNNXBMFYSA-N
XLogP1.47
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 124697529
8-methyl-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 51264656
8-methyl-3-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 39443064
2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 134061926
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 52507049
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
ethyl 4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 31844800
8-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 27872511
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27873849
2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42123099
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide (CID 52519291) is 2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide is Cc1cccc2c(=O)n(CC(=O)N3CCC[C@H](NC(=O)C(C)C)C3)cnc12.
What is the InChIKey of 2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide?
The InChIKey is NDVRVOWQXLVZQL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13(2)19(26)22-15-7-5-9-23(10-15)17(25)11-24-12-21-18-14(3)6-4-8-16(18)20(24)27/h4,6,8,12-13,15H,5,7,9-11H2,1-3H3,(H,22,26)/t15-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide?
2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide has a molecular weight of 370.45 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 52519291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).