1-benzyl-6-nitro-3-propan-2-yl-3,4-dihydroquinolin-2-one

C19H20N2O3 — CID 170748384

IUPAC1-benzyl-6-nitro-3-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCC(C)C1Cc2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C19H20N2O3/c1-13(2)17-11-15-10-16(21(23)24)8-9-18(15)20(19(17)22)12-14-6-4-3-5-7-14/h3-10,13,17H,11-12H2,1-2H3
InChIKeyUOBSBUYSTFBUBB-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.96
Rot. Bonds4

About 1-benzyl-6-nitro-3-propan-2-yl-3,4-dihydroquinolin-2-one

1-benzyl-6-nitro-3-propan-2-yl-3,4-dihydroquinolin-2-one (PubChem CID 170748384) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-benzyl-6-nitro-3-propan-2-yl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-6-nitro-3-propan-2-yl-3,4-dihydroquinolin-2-one
PubChem CID170748384
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-benzyl-6-nitro-3-propan-2-yl-3,4-dihydroquinolin-2-one
SMILESCC(C)C1Cc2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)C1=O
InChIInChI=1S/C19H20N2O3/c1-13(2)17-11-15-10-16(21(23)24)8-9-18(15)20(19(17)22)12-14-6-4-3-5-7-14/h3-10,13,17H,11-12H2,1-2H3
InChIKeyUOBSBUYSTFBUBB-UHFFFAOYSA-N
XLogP3.96
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-benzyl-6-nitro-3,4-dihydroquinazolin-2-one
CID 170748618
1-benzyl-5-nitro-3-pyrrol-1-yl-3H-indol-2-one
CID 102276840
1-benzyl-2-methyl-6-nitro-3,4-dihydro-2H-quinoline
CID 24997215
3-(3-chloropropyl)-1-[(4-methoxyphenyl)methyl]-6-nitro-3,4-dihydroquinolin-2-one
CID 59807146
1-benzyl-1'-methyl-6'-nitro-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
CID 4975703
(2'R,5R)-1-benzyl-1'-methyl-6'-nitro-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
CID 98363939
4-benzyl-1-methyl-6-nitro-2,3-dihydroquinoxaline;ethane
CID 156828123
1'-benzyl-5'-nitrospiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 142598896
(2'R,5R)-1-benzyl-1'-methyl-6'-nitro-2'-propylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
CID 40945007
(4aR,5R)-1'-benzyl-8-nitrospiro[1,2,3,4,4a,6-hexahydrobenzo[c]quinolizine-5,5'-1,3-diazinane]-2',4',6'-trione
CID 40941103
(3S)-1-benzyl-3-methyl-3,4-dihydroquinolin-2-one
CID 71351349
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-nitrobenzenesulfonamide
CID 16927385

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-nitro-3-propan-2-yl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-6-nitro-3-propan-2-yl-3,4-dihydroquinolin-2-one (CID 170748384) is 1-benzyl-6-nitro-3-propan-2-yl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-6-nitro-3-propan-2-yl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-6-nitro-3-propan-2-yl-3,4-dihydroquinolin-2-one is CC(C)C1Cc2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-6-nitro-3-propan-2-yl-3,4-dihydroquinolin-2-one?
The InChIKey is UOBSBUYSTFBUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(2)17-11-15-10-16(21(23)24)8-9-18(15)20(19(17)22)12-14-6-4-3-5-7-14/h3-10,13,17H,11-12H2,1-2H3.
What are the key properties of 1-benzyl-6-nitro-3-propan-2-yl-3,4-dihydroquinolin-2-one?
1-benzyl-6-nitro-3-propan-2-yl-3,4-dihydroquinolin-2-one has a molecular weight of 324.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-nitro-3-propan-2-yl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 170748384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).