N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide

C17H21N3O2 — CID 2999724

IUPACN-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCC1CCCCC1NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C17H21N3O2/c1-12-6-2-4-8-14(12)19-16(21)10-20-11-18-15-9-5-3-7-13(15)17(20)22/h3,5,7,9,11-12,14H,2,4,6,8,10H2,1H3,(H,19,21)
InChIKeyJQNVJGXJOWTMQD-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.09
Rot. Bonds3

About N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 2999724) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID2999724
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCC1CCCCC1NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C17H21N3O2/c1-12-6-2-4-8-14(12)19-16(21)10-20-11-18-15-9-5-3-7-13(15)17(20)22/h3,5,7,9,11-12,14H,2,4,6,8,10H2,1H3,(H,19,21)
InChIKeyJQNVJGXJOWTMQD-UHFFFAOYSA-N
XLogP2.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 46792790
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 110164098
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 155990175
N-(2,3-dimethylcyclohexyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 51280662
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354452
N-[(1S,2S)-2-methylcyclohexyl]-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 7544972
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7628728
N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857351
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 18115170
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594512

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 2999724) is N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide is CC1CCCCC1NC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is JQNVJGXJOWTMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-6-2-4-8-14(12)19-16(21)10-20-11-18-15-9-5-3-7-13(15)17(20)22/h3,5,7,9,11-12,14H,2,4,6,8,10H2,1H3,(H,19,21).
What are the key properties of N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 2999724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).