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

C15H19N5O5 — CID 135620286

IUPACN-(3-methoxypropyl)-2-[methyl-(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide
SMILESCOCCCNC(=O)CN(C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]
InChIInChI=1S/C15H19N5O5/c1-19(8-14(21)16-4-3-5-25-2)12-7-11-10(6-13(12)20(23)24)15(22)18-9-17-11/h6-7,9H,3-5,8H2,1-2H3,(H,16,21)(H,17,18,22)
InChIKeyDQMANBYNBCQHHK-UHFFFAOYSA-N
MW349.35 g/mol
LogP0.42
Rot. Bonds8

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

N-(3-methoxypropyl)-2-[methyl-(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide (PubChem CID 135620286) has the molecular formula C15H19N5O5 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[methyl-(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[methyl-(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide
PubChem CID135620286
Molecular FormulaC15H19N5O5
Molecular Weight349.35 g/mol
Exact Mass349.14
IUPAC NameN-(3-methoxypropyl)-2-[methyl-(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide
SMILESCOCCCNC(=O)CN(C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]
InChIInChI=1S/C15H19N5O5/c1-19(8-14(21)16-4-3-5-25-2)12-7-11-10(6-13(12)20(23)24)15(22)18-9-17-11/h6-7,9H,3-5,8H2,1-2H3,(H,16,21)(H,17,18,22)
InChIKeyDQMANBYNBCQHHK-UHFFFAOYSA-N
XLogP0.42
TPSA130.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-[(2-methoxyphenyl)methyl-methylamino]-6-nitro-3H-quinazolin-4-one
CID 135562754
7-[(4-bromophenyl)methyl-methylamino]-6-nitro-3H-quinazolin-4-one
CID 137289198
7-[3-imidazol-1-ylpropyl(methyl)amino]-6-nitro-3H-quinazolin-4-one
CID 137248377
7-[(3-fluorophenyl)methyl-methylamino]-6-nitro-3H-quinazolin-4-one
CID 135562769
N-(6-nitro-4-oxo-3H-quinazolin-7-yl)acetamide
CID 135618491
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 137009322
N-(cyclopropylmethyl)-2-[(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide
CID 137262167
6-nitro-7-[3-[(1R)-1-phenylethoxy]propylamino]-3H-quinazolin-4-one
CID 136820401
7-[2-(3,4-dimethoxyphenyl)ethylamino]-6-nitro-3H-quinazolin-4-one
CID 137289182
6,7-bis(2-methoxyethoxy)-3H-quinazolin-4-one;ethane
CID 143274794
2-(2-chloro-N-methyl-4-nitroanilino)-N-(2-methoxyethyl)acetamide
CID 24508374
7-[(1-methoxycyclobutyl)methylamino]-6-nitro-3H-quinazolin-4-one
CID 137273785

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[methyl-(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[methyl-(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide (CID 135620286) is N-(3-methoxypropyl)-2-[methyl-(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[methyl-(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[methyl-(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide is COCCCNC(=O)CN(C)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-].
What is the InChIKey of N-(3-methoxypropyl)-2-[methyl-(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide?
The InChIKey is DQMANBYNBCQHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O5/c1-19(8-14(21)16-4-3-5-25-2)12-7-11-10(6-13(12)20(23)24)15(22)18-9-17-11/h6-7,9H,3-5,8H2,1-2H3,(H,16,21)(H,17,18,22).
What are the key properties of N-(3-methoxypropyl)-2-[methyl-(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide?
N-(3-methoxypropyl)-2-[methyl-(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide has a molecular weight of 349.35 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[methyl-(6-nitro-4-oxo-3H-quinazolin-7-yl)amino]acetamide is sourced from PubChem (CID 135620286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).