N-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

C19H18N4O5 — CID 137301747

IUPACN-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C19H18N4O5/c1-3-22(11-17-20-15-7-5-4-6-13(15)18(24)21-17)19(25)14-10-12(23(26)27)8-9-16(14)28-2/h4-10H,3,11H2,1-2H3,(H,20,21,24)
InChIKeyYPGRZMDUDKUEIO-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.50
Rot. Bonds6

About N-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide

N-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (PubChem CID 137301747) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
PubChem CID137301747
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC NameN-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C19H18N4O5/c1-3-22(11-17-20-15-7-5-4-6-13(15)18(24)21-17)19(25)14-10-12(23(26)27)8-9-16(14)28-2/h4-10H,3,11H2,1-2H3,(H,20,21,24)
InChIKeyYPGRZMDUDKUEIO-UHFFFAOYSA-N
XLogP2.50
TPSA118.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.50
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-ethyl-3-methyl-2-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135848570
N-benzyl-2-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135738056
N-benzyl-2-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135738052
N-benzyl-3,4-dimethoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135738075
2-cyclopropyl-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]quinoline-4-carboxamide
CID 137317997
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1H-indole-2-carboxamide
CID 135821179
4-(cyclopropylamino)-N-ethyl-3-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135821149
N,5-diethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135896382
N-ethyl-4-(3-methylbutylsulfanyl)-3-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 137309633
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135821016
3-chloro-5-ethoxy-N-ethyl-4-hydroxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 136935245
3-ethoxy-N-ethyl-4-(2-methylpropoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135821138

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The IUPAC name of N-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide (CID 137301747) is N-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide.
What is the SMILES notation for N-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The canonical SMILES for N-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
The InChIKey is YPGRZMDUDKUEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-3-22(11-17-20-15-7-5-4-6-13(15)18(24)21-17)19(25)14-10-12(23(26)27)8-9-16(14)28-2/h4-10H,3,11H2,1-2H3,(H,20,21,24).
What are the key properties of N-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide?
N-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide has a molecular weight of 382.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-5-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 137301747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).