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

C20H28N4O2 — CID 52521562

IUPAC2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)N[C@H](C)CN1CCC[C@H](C)C1
InChIInChI=1S/C20H28N4O2/c1-14-7-6-10-23(11-14)12-15(2)21-19(25)13-24-16(3)22-18-9-5-4-8-17(18)20(24)26/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3,(H,21,25)/t14-,15+/m0/s1
InChIKeyDDRPTEKVHQQNDO-LSDHHAIUSA-N
MW356.47 g/mol
LogP1.94
Rot. Bonds5

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

2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide (PubChem CID 52521562) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide
PubChem CID52521562
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)N[C@H](C)CN1CCC[C@H](C)C1
InChIInChI=1S/C20H28N4O2/c1-14-7-6-10-23(11-14)12-15(2)21-19(25)13-24-16(3)22-18-9-5-4-8-17(18)20(24)26/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3,(H,21,25)/t14-,15+/m0/s1
InChIKeyDDRPTEKVHQQNDO-LSDHHAIUSA-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-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2S)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 136696915
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55690231
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 47070914
3-ethyl-2-[[(3S)-3-methylpiperidin-1-yl]methyl]quinazolin-4-one
CID 92589759
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51196146
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 9360878
N-(2-cyclopentylpyrazol-3-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55571044
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 96543678
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 51730374
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 40751497

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide?
The IUPAC name of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide (CID 52521562) is 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide?
The canonical SMILES for 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide is Cc1nc2ccccc2c(=O)n1CC(=O)N[C@H](C)CN1CCC[C@H](C)C1.
What is the InChIKey of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide?
The InChIKey is DDRPTEKVHQQNDO-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-7-6-10-23(11-14)12-15(2)21-19(25)13-24-16(3)22-18-9-5-4-8-17(18)20(24)26/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3,(H,21,25)/t14-,15+/m0/s1.
What are the key properties of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide?
2-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]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-(2-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-1-[(3S)-3-methylpiperidin-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 52521562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).