(2-methyl-4-nitrophenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone

C20H22N2O3 — CID 60619760

IUPAC(2-methyl-4-nitrophenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc([N+](=O)[O-])ccc1C(=O)N1CCCc2cc(C(C)C)ccc21
InChIInChI=1S/C20H22N2O3/c1-13(2)15-6-9-19-16(12-15)5-4-10-21(19)20(23)18-8-7-17(22(24)25)11-14(18)3/h6-9,11-13H,4-5,10H2,1-3H3
InChIKeyMEVJLJDFAMXKKL-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.62
Rot. Bonds3

About (2-methyl-4-nitrophenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone

(2-methyl-4-nitrophenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 60619760) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2-methyl-4-nitrophenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-4-nitrophenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID60619760
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2-methyl-4-nitrophenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc([N+](=O)[O-])ccc1C(=O)N1CCCc2cc(C(C)C)ccc21
InChIInChI=1S/C20H22N2O3/c1-13(2)15-6-9-19-16(12-15)5-4-10-21(19)20(23)18-8-7-17(22(24)25)11-14(18)3/h6-9,11-13H,4-5,10H2,1-3H3
InChIKeyMEVJLJDFAMXKKL-UHFFFAOYSA-N
XLogP4.62
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.62
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

(2-methylphenyl)-(7-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110291907
furan-2-yl-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 164578193
[2-(1-aminoethyl)piperidin-1-yl]-(2-methyl-4-nitrophenyl)methanone
CID 63255057
N-ethyl-4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide
CID 60557455
(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-nitrophenyl)methanone
CID 895005
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 107670570
(2-chloro-5-nitrophenyl)-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 55671446
2-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-5-nitrobenzenesulfonamide
CID 7498927
2-(5-nitro-2,3-dihydroindole-1-carbonyl)benzoate
CID 7155300
3,4-dihydro-2H-quinolin-1-yl-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-nitrophenyl]methanone
CID 2990925
(2-fluorophenyl)-(5-nitro-2,3-dihydroindol-1-yl)methanone
CID 17421569
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 120560186

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-nitrophenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-methyl-4-nitrophenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 60619760) is (2-methyl-4-nitrophenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-methyl-4-nitrophenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-methyl-4-nitrophenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCc2cc(C(C)C)ccc21.
What is the InChIKey of (2-methyl-4-nitrophenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is MEVJLJDFAMXKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13(2)15-6-9-19-16(12-15)5-4-10-21(19)20(23)18-8-7-17(22(24)25)11-14(18)3/h6-9,11-13H,4-5,10H2,1-3H3.
What are the key properties of (2-methyl-4-nitrophenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-methyl-4-nitrophenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 338.41 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-nitrophenyl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 60619760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).