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

C17H17ClN2O — CID 106901161

IUPACN-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C17H17ClN2O/c1-11-14(18)6-4-8-15(11)20-17(21)13-9-12-5-2-3-7-16(12)19-10-13/h2-8,13,19H,9-10H2,1H3,(H,20,21)
InChIKeyWIVUKGSGPLPYIA-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.87
Rot. Bonds2

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

N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901161) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901161
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CNc2ccccc2C1
InChIInChI=1S/C17H17ClN2O/c1-11-14(18)6-4-8-15(11)20-17(21)13-9-12-5-2-3-7-16(12)19-10-13/h2-8,13,19H,9-10H2,1H3,(H,20,21)
InChIKeyWIVUKGSGPLPYIA-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-iodophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901274
N-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901174
N-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901173
N-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901165
N-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901584
N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901781
N-(2-bromo-4-fluorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901205
N-(3-hydroxy-2-pyridinyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901707
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
(2S)-N-(2,3-dichlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148394
N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107219186

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901161) is N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is Cc1c(Cl)cccc1NC(=O)C1CNc2ccccc2C1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is WIVUKGSGPLPYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-14(18)6-4-8-15(11)20-17(21)13-9-12-5-2-3-7-16(12)19-10-13/h2-8,13,19H,9-10H2,1H3,(H,20,21).
What are the key properties of N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).