(2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C19H21FN2O — CID 176706267

IUPAC(2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCNC[C@H]1Cc2ccccc2N(C(=O)c2c(C)cccc2F)C1
InChIInChI=1S/C19H21FN2O/c1-13-6-5-8-16(20)18(13)19(23)22-12-14(11-21-2)10-15-7-3-4-9-17(15)22/h3-9,14,21H,10-12H2,1-2H3/t14-/m1/s1
InChIKeyTVIDSRVAIDWHDN-CQSZACIVSA-N
MW312.39 g/mol
LogP3.17
Rot. Bonds3

About (2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

(2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 176706267) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is (2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID176706267
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name(2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCNC[C@H]1Cc2ccccc2N(C(=O)c2c(C)cccc2F)C1
InChIInChI=1S/C19H21FN2O/c1-13-6-5-8-16(20)18(13)19(23)22-12-14(11-21-2)10-15-7-3-4-9-17(15)22/h3-9,14,21H,10-12H2,1-2H3/t14-/m1/s1
InChIKeyTVIDSRVAIDWHDN-CQSZACIVSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone;N-hexan-3-ylaniline;prop-1-ene
CID 176706266
(2-fluoro-6-pyrazol-1-ylphenyl)-[3-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 167802031
(2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63499391
N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine
CID 163235914
[(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone
CID 95785410
1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 18333101
1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513124
(3-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107672090
(3S)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-(4-hydroxy-3-methylphenyl)-3,4-dihydro-2H-quinoline-3-carboxamide
CID 163525595
3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
CID 138028697
2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide
CID 79523125
(3S)-1-(2-fluoro-6-methylbenzoyl)-2-[4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-N-[4-(hydroxymethyl)-3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-3-carboxamide
CID 166907643

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 176706267) is (2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is CNC[C@H]1Cc2ccccc2N(C(=O)c2c(C)cccc2F)C1.
What is the InChIKey of (2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is TVIDSRVAIDWHDN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-13-6-5-8-16(20)18(13)19(23)22-12-14(11-21-2)10-15-7-3-4-9-17(15)22/h3-9,14,21H,10-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
(2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 312.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methylphenyl)-[(3R)-3-(methylaminomethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 176706267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).