N-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide

C17H20N2O — CID 154124830

IUPACN-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide
SMILESCc1ccccc1NC(=O)C1CNC2=CC=CCC2C1
InChIInChI=1S/C17H20N2O/c1-12-6-2-4-8-15(12)19-17(20)14-10-13-7-3-5-9-16(13)18-11-14/h2-6,8-9,13-14,18H,7,10-11H2,1H3,(H,19,20)
InChIKeyNGYGLZKRSZEFRZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.00
Rot. Bonds2

About N-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide

N-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide (PubChem CID 154124830) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide
PubChem CID154124830
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide
SMILESCc1ccccc1NC(=O)C1CNC2=CC=CCC2C1
InChIInChI=1S/C17H20N2O/c1-12-6-2-4-8-15(12)19-17(20)14-10-13-7-3-5-9-16(13)18-11-14/h2-6,8-9,13-14,18H,7,10-11H2,1H3,(H,19,20)
InChIKeyNGYGLZKRSZEFRZ-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623
(1S,6S)-3,4-dimethyl-6-[(2-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 842157
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
(1R,2R,3R,4R)-3-[(2-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124714769
4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 685768
4-N-(2,6-difluorophenyl)-1-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150408
1-N-cyclohexyl-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146141
(2-methylphenyl)urea;phosphane
CID 175888509
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671
1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17224372

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide?
The IUPAC name of N-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide (CID 154124830) is N-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide is Cc1ccccc1NC(=O)C1CNC2=CC=CCC2C1.
What is the InChIKey of N-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide?
The InChIKey is NGYGLZKRSZEFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-6-2-4-8-15(12)19-17(20)14-10-13-7-3-5-9-16(13)18-11-14/h2-6,8-9,13-14,18H,7,10-11H2,1H3,(H,19,20).
What are the key properties of N-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide?
N-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1,2,3,4,4a,5-hexahydroquinoline-3-carboxamide is sourced from PubChem (CID 154124830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).