6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

C18H19FN2O2 — CID 2897839

IUPAC6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1c2ccc(F)cc2CCC1C
InChIInChI=1S/C18H19FN2O2/c1-12-7-8-13-11-14(19)9-10-16(13)21(12)18(22)20-15-5-3-4-6-17(15)23-2/h3-6,9-12H,7-8H2,1-2H3,(H,20,22)
InChIKeyWRNFCWYETUYKGZ-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.21
Rot. Bonds2

About 6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide

6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 2897839) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID2897839
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1c2ccc(F)cc2CCC1C
InChIInChI=1S/C18H19FN2O2/c1-12-7-8-13-11-14(19)9-10-16(13)21(12)18(22)20-15-5-3-4-6-17(15)23-2/h3-6,9-12H,7-8H2,1-2H3,(H,20,22)
InChIKeyWRNFCWYETUYKGZ-UHFFFAOYSA-N
XLogP4.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

LR 511
CID 68696
4-Phenyl-3-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 10188853
1-(2-(dimethylamino)-4-(trifluoromethyl)benzyl)-3-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-8-yl)urea
CID 53476470
1-(2-Methoxyphenyl)-3-naphthalen-1-ylurea
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1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(4-methoxy-phenyl)-urea
CID 11363006
N-(2-ethoxyphenyl)-3,4-dihydroquinoline-1(2H)-carbothioamide
CID 714721
1-(2-Methoxyphenyl)-5-(2-phenylethyl)-1,3,5-triazinane-2-thione
CID 751683
N-(2-methoxyphenyl)-N'-(2-phenylethyl)urea
CID 853786
N-[3-(4-benzylpiperidin-1-yl)propyl]-N'-(4-methoxyphenyl)urea
CID 16193711
Afacifenacin
CID 42647276
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CID 311061

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 2897839) is 6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is COc1ccccc1NC(=O)N1c2ccc(F)cc2CCC1C.
What is the InChIKey of 6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is WRNFCWYETUYKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12-7-8-13-11-14(19)9-10-16(13)21(12)18(22)20-15-5-3-4-6-17(15)23-2/h3-6,9-12H,7-8H2,1-2H3,(H,20,22).
What are the key properties of 6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide?
6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-methoxyphenyl)-2-methyl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 2897839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).