N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

C17H17FN2O — CID 43325639

IUPACN-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H17FN2O/c1-11-9-14(18)5-7-15(11)20-17(21)13-4-6-16-12(10-13)3-2-8-19-16/h4-7,9-10,19H,2-3,8H2,1H3,(H,20,21)
InChIKeyFVJYTPTYWBGXKT-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.74
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 43325639) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID43325639
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H17FN2O/c1-11-9-14(18)5-7-15(11)20-17(21)13-4-6-16-12(10-13)3-2-8-19-16/h4-7,9-10,19H,2-3,8H2,1H3,(H,20,21)
InChIKeyFVJYTPTYWBGXKT-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325547
N-(4-methoxy-2-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 62873180
N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325719
N-(4,6-dimethylpyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325681
N-(2,3,4-trifluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325563
N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43438489
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
N-(2-phenoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 166234926
N-(4-fluoro-2-methylphenyl)naphthalene-2-carboxamide
CID 7751885
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 103479340
N-(5-bromo-3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 83165588
N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104727171

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 43325639) is N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is Cc1cc(F)ccc1NC(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is FVJYTPTYWBGXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-11-9-14(18)5-7-15(11)20-17(21)13-4-6-16-12(10-13)3-2-8-19-16/h4-7,9-10,19H,2-3,8H2,1H3,(H,20,21).
What are the key properties of N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 284.33 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 43325639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).