N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide

C15H16N4O4 — CID 7227373

IUPACN-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)NC1CCCC1
InChIInChI=1S/C15H16N4O4/c20-14(17-10-3-1-2-4-10)8-18-9-16-13-6-5-11(19(22)23)7-12(13)15(18)21/h5-7,9-10H,1-4,8H2,(H,17,20)
InChIKeySRLNVDQYKRHYHK-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.36
Rot. Bonds4

About N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide

N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 7227373) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
PubChem CID7227373
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC NameN-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)NC1CCCC1
InChIInChI=1S/C15H16N4O4/c20-14(17-10-3-1-2-4-10)8-18-9-16-13-6-5-11(19(22)23)7-12(13)15(18)21/h5-7,9-10H,1-4,8H2,(H,17,20)
InChIKeySRLNVDQYKRHYHK-UHFFFAOYSA-N
XLogP1.36
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(cyclopentylcarbamoyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4636840
2-(6-nitro-4-oxoquinazolin-3-yl)acetic acid
CID 2476040
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 6600513
2-(6-bromo-4-oxoquinazolin-3-yl)-N-cyclopropylacetamide
CID 7886546
N-cycloheptyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 4815745
3-[2-(azocan-1-yl)-2-oxoethyl]-6-nitroquinazolin-4-one
CID 51215364
N-butyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 9464587
N-[(2S)-butan-2-yl]-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7284295
N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84601847
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 7227243
ethyl N-[2-(6-nitro-4-oxoquinazolin-3-yl)acetyl]carbamate
CID 7227310

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide (CID 7227373) is N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is SRLNVDQYKRHYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c20-14(17-10-3-1-2-4-10)8-18-9-16-13-6-5-11(19(22)23)7-12(13)15(18)21/h5-7,9-10H,1-4,8H2,(H,17,20).
What are the key properties of N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide?
N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 316.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 7227373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).