N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide

C16H17N5O5 — CID 4636840

IUPACN-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC(=O)NC1CCCC1
InChIInChI=1S/C16H17N5O5/c22-14(19-16(24)18-10-3-1-2-4-10)8-20-9-17-13-7-11(21(25)26)5-6-12(13)15(20)23/h5-7,9-10H,1-4,8H2,(H2,18,19,22,24)
InChIKeyJNCPWBGBPCKMRL-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.07
Rot. Bonds4

About N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide

N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 4636840) has the molecular formula C16H17N5O5 and a molecular weight of 359.34 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID4636840
Molecular FormulaC16H17N5O5
Molecular Weight359.34 g/mol
Exact Mass359.12
IUPAC NameN-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC(=O)NC1CCCC1
InChIInChI=1S/C16H17N5O5/c22-14(19-16(24)18-10-3-1-2-4-10)8-20-9-17-13-7-11(21(25)26)5-6-12(13)15(20)23/h5-7,9-10H,1-4,8H2,(H2,18,19,22,24)
InChIKeyJNCPWBGBPCKMRL-UHFFFAOYSA-N
XLogP1.07
TPSA136.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 5131642
N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227373
N-(tert-butylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 3527118
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 6600513
N-[(2,4-dimethylphenyl)carbamoyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55308269
N-(3,4-dihydro-2H-chromen-4-yl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 78789549
N-butyl-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 3933084
2-(7-bromo-4-oxoquinazolin-3-yl)-N-cyclopentylacetamide
CID 78961186
N-(2,6-dimethylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84602357
N-[(4-chlorophenyl)methyl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2084381
N-(3,3-diphenylpropyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2540751
N-(2-tert-butylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 2485179

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide (CID 4636840) is N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is JNCPWBGBPCKMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O5/c22-14(19-16(24)18-10-3-1-2-4-10)8-20-9-17-13-7-11(21(25)26)5-6-12(13)15(20)23/h5-7,9-10H,1-4,8H2,(H2,18,19,22,24).
What are the key properties of N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide?
N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 359.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 4636840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).