2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide

C20H28N4O2 — CID 52507049

IUPAC2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NC[C@@H]3CCCN(C(C)C)C3)cnc12
InChIInChI=1S/C20H28N4O2/c1-14(2)23-9-5-7-16(11-23)10-21-18(25)12-24-13-22-19-15(3)6-4-8-17(19)20(24)26/h4,6,8,13-14,16H,5,7,9-12H2,1-3H3,(H,21,25)/t16-/m0/s1
InChIKeyONKKVIDZNSFEAA-INIZCTEOSA-N
MW356.47 g/mol
LogP1.94
Rot. Bonds5

About 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide

2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide (PubChem CID 52507049) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
PubChem CID52507049
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NC[C@@H]3CCCN(C(C)C)C3)cnc12
InChIInChI=1S/C20H28N4O2/c1-14(2)23-9-5-7-16(11-23)10-21-18(25)12-24-13-22-19-15(3)6-4-8-17(19)20(24)26/h4,6,8,13-14,16H,5,7,9-12H2,1-3H3,(H,21,25)/t16-/m0/s1
InChIKeyONKKVIDZNSFEAA-INIZCTEOSA-N
XLogP1.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide with MolForge

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 95229580
2-methyl-N-[(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidin-3-yl]propanamide
CID 52519291
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51266892
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-2-piperidin-1-ylpropyl)acetamide
CID 17394856
2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 134061926
(3S)-1-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxylic acid
CID 124697529
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 41200792
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide
CID 30693618
2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 95220651
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55897690
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27016294

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide (CID 52507049) is 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide is Cc1cccc2c(=O)n(CC(=O)NC[C@@H]3CCCN(C(C)C)C3)cnc12.
What is the InChIKey of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide?
The InChIKey is ONKKVIDZNSFEAA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14(2)23-9-5-7-16(11-23)10-21-18(25)12-24-13-22-19-15(3)6-4-8-17(19)20(24)26/h4,6,8,13-14,16H,5,7,9-12H2,1-3H3,(H,21,25)/t16-/m0/s1.
What are the key properties of 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide?
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 52507049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).