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

C17H21N3O2 — CID 4815745

IUPACN-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NC1CCCCCC1
InChIInChI=1S/C17H21N3O2/c21-16(19-13-7-3-1-2-4-8-13)11-20-12-18-15-10-6-5-9-14(15)17(20)22/h5-6,9-10,12-13H,1-4,7-8,11H2,(H,19,21)
InChIKeyONKNWWLKFPFECZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.24
Rot. Bonds3

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

N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 4815745) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID4815745
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NC1CCCCCC1
InChIInChI=1S/C17H21N3O2/c21-16(19-13-7-3-1-2-4-8-13)11-20-12-18-15-10-6-5-9-14(15)17(20)22/h5-6,9-10,12-13H,1-4,7-8,11H2,(H,19,21)
InChIKeyONKNWWLKFPFECZ-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylcyclohexyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2999724
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 110164098
2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide
CID 78961186
N-cyclopentyl-2-[4-hydroxy-4-[(4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]acetamide
CID 46966128
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
N-cycloheptyl-2-(1-oxoisoquinolin-2-yl)acetamide
CID 22334244
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51273612
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
N-cyclohexyl-2-(4-oxo-5H-pyrimido[5,4-b]indol-3-yl)acetamide
CID 18525531
N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227373
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 18115170

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide (CID 4815745) is N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is ONKNWWLKFPFECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-16(19-13-7-3-1-2-4-8-13)11-20-12-18-15-10-6-5-9-14(15)17(20)22/h5-6,9-10,12-13H,1-4,7-8,11H2,(H,19,21).
What are the key properties of N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide?
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 4815745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).