[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone

C19H21N3O3 — CID 150693792

IUPAC[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone
SMILESCC1CC(N(C)C)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O3/c1-13-12-18(20(2)3)16-6-4-5-7-17(16)21(13)19(23)14-8-10-15(11-9-14)22(24)25/h4-11,13,18H,12H2,1-3H3
InChIKeyJKKXBFDRLSFOQA-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.64
Rot. Bonds3

About [4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone

[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone (PubChem CID 150693792) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is [4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone
PubChem CID150693792
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone
SMILESCC1CC(N(C)C)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O3/c1-13-12-18(20(2)3)16-6-4-5-7-17(16)21(13)19(23)14-8-10-15(11-9-14)22(24)25/h4-11,13,18H,12H2,1-3H3
InChIKeyJKKXBFDRLSFOQA-UHFFFAOYSA-N
XLogP3.64
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone?
The IUPAC name of [4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone (CID 150693792) is [4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone.
What is the SMILES notation for [4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone?
The canonical SMILES for [4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone is CC1CC(N(C)C)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone?
The InChIKey is JKKXBFDRLSFOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-12-18(20(2)3)16-6-4-5-7-17(16)21(13)19(23)14-8-10-15(11-9-14)22(24)25/h4-11,13,18H,12H2,1-3H3.
What are the key properties of [4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone?
[4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone has a molecular weight of 339.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone is sourced from PubChem (CID 150693792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).