N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide

C14H15N5O4 — CID 137262167

IUPACN-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide
SMILESO=C(CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])NCC1CC1
InChIInChI=1S/C14H15N5O4/c20-13(16-5-8-1-2-8)6-15-11-4-10-9(3-12(11)19(22)23)14(21)18-7-17-10/h3-4,7-8,15H,1-2,5-6H2,(H,16,20)(H,17,18,21)
InChIKeyONIVOISFJNHUMC-UHFFFAOYSA-N
MW317.31 g/mol
LogP0.77
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide

N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide (PubChem CID 137262167) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide
PubChem CID137262167
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC NameN-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide
SMILESO=C(CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])NCC1CC1
InChIInChI=1S/C14H15N5O4/c20-13(16-5-8-1-2-8)6-15-11-4-10-9(3-12(11)19(22)23)14(21)18-7-17-10/h3-4,7-8,15H,1-2,5-6H2,(H,16,20)(H,17,18,21)
InChIKeyONIVOISFJNHUMC-UHFFFAOYSA-N
XLogP0.77
TPSA130.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 50.77
H-Bond Donors ≤ 53
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

6-nitro-7-[[(2R)-oxolan-2-yl]methylamino]-3H-quinazolin-4-one
CID 135932392
7-[(2-amino-2-cyclopropylethyl)amino]-6-nitro-3H-quinazolin-4-one
CID 136993660
7-[3-(2-hydroxycyclohexyl)propylamino]-6-nitro-3H-quinazolin-4-one
CID 137265030
7-(cyclopentylamino)-6-nitro-3H-quinazolin-4-one
CID 135932393
N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide
CID 135618491
6-nitro-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3H-quinazolin-4-one
CID 137289225
7-[(2,2-difluoro-3-hydroxypropyl)amino]-6-nitro-3H-quinazolin-4-one
CID 136785570
7-[(1-aminocyclobutyl)methylamino]-6-nitro-3H-quinazolin-4-one
CID 136869174
N-(cyclopropylmethyl)-2-(4-iodo-2-nitroanilino)acetamide
CID 133441931
7-[(1-methoxycyclobutyl)methylamino]-6-nitro-3H-quinazolin-4-one
CID 137273785
7-[[1-hydroxy-3-(trifluoromethyl)cyclohexyl]methylamino]-6-nitro-3H-quinazolin-4-one
CID 137267699
N-(cyclopropylmethyl)-2-[5-(hydroxymethyl)-2-nitroanilino]acetamide
CID 133441776

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide (CID 137262167) is N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide is O=C(CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide?
The InChIKey is ONIVOISFJNHUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c20-13(16-5-8-1-2-8)6-15-11-4-10-9(3-12(11)19(22)23)14(21)18-7-17-10/h3-4,7-8,15H,1-2,5-6H2,(H,16,20)(H,17,18,21).
What are the key properties of N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide?
N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide has a molecular weight of 317.31 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide is sourced from PubChem (CID 137262167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).