(2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C15H17Cl2NO2 — CID 42929684

IUPAC(2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C15H17Cl2NO2/c1-14(9-15(14,16)17)13(19)18-7-3-4-10-8-11(20-2)5-6-12(10)18/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyNAOQFXRZAFBAQJ-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.56
Rot. Bonds2

About (2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 42929684) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is (2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID42929684
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name(2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C15H17Cl2NO2/c1-14(9-15(14,16)17)13(19)18-7-3-4-10-8-11(20-2)5-6-12(10)18/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyNAOQFXRZAFBAQJ-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

(3-aminooxolan-3-yl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 64892178
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030
2-(1-aminocyclopentyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64679011
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 18122068
(2R)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 30257325
N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 38198162
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 23032395
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958524
(2S,3S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-methylpentan-1-one
CID 61258316
(2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 107569298

Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 42929684) is (2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc2c(c1)CCCN2C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of (2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is NAOQFXRZAFBAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c1-14(9-15(14,16)17)13(19)18-7-3-4-10-8-11(20-2)5-6-12(10)18/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of (2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 314.21 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 42929684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).