N-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide

C19H17N3O4 — CID 2023817

IUPACN-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
SMILESCc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3)cc2c1
InChIInChI=1S/C19H17N3O4/c1-12-3-8-17-14(9-12)10-15(18(23)20-17)11-21(2)19(24)13-4-6-16(7-5-13)22(25)26/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeySKLUUUBTHVZBJX-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.02
Rot. Bonds4

About N-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide

N-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide (PubChem CID 2023817) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
PubChem CID2023817
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
SMILESCc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3)cc2c1
InChIInChI=1S/C19H17N3O4/c1-12-3-8-17-14(9-12)10-15(18(23)20-17)11-21(2)19(24)13-4-6-16(7-5-13)22(25)26/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeySKLUUUBTHVZBJX-UHFFFAOYSA-N
XLogP3.02
TPSA96.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide
CID 1424779
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methyl-3-nitrobenzamide
CID 1422756
N-(2,5-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzamide
CID 1417860
N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide
CID 27827757
N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453430
N-(2,3-dimethylphenyl)-4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1390928
N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 947723
N-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 930563
N-(3-hydroxypropyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3193899
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 858516
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide
CID 17096449
4-ethoxy-N-(2-hydroxyethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453431

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide?
The IUPAC name of N-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide (CID 2023817) is N-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide.
What is the SMILES notation for N-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide?
The canonical SMILES for N-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide is Cc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3)cc2c1.
What is the InChIKey of N-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide?
The InChIKey is SKLUUUBTHVZBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12-3-8-17-14(9-12)10-15(18(23)20-17)11-21(2)19(24)13-4-6-16(7-5-13)22(25)26/h3-10H,11H2,1-2H3,(H,20,23).
What are the key properties of N-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide?
N-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide has a molecular weight of 351.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide is sourced from PubChem (CID 2023817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).