N-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C17H24N2O2 — CID 79590364

IUPACN-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCc1cccc(NC(=O)C2CCC3CCCCC3N2)c1O
InChIInChI=1S/C17H24N2O2/c1-11-5-4-8-14(16(11)20)19-17(21)15-10-9-12-6-2-3-7-13(12)18-15/h4-5,8,12-13,15,18,20H,2-3,6-7,9-10H2,1H3,(H,19,21)
InChIKeyRRNLSQMKDAKGFG-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.95
Rot. Bonds2

About N-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 79590364) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID79590364
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCc1cccc(NC(=O)C2CCC3CCCCC3N2)c1O
InChIInChI=1S/C17H24N2O2/c1-11-5-4-8-14(16(11)20)19-17(21)15-10-9-12-6-2-3-7-13(12)18-15/h4-5,8,12-13,15,18,20H,2-3,6-7,9-10H2,1H3,(H,19,21)
InChIKeyRRNLSQMKDAKGFG-UHFFFAOYSA-N
XLogP2.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470360
N-(3-bromo-2-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 107625159
N-(2,4-dimethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471167
N-(2,3-dichlorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470161
N-(3-methyl-4-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66468996
N-(3-chloro-2-fluorophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470974
N-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469560
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
N-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470767
N-(5-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469561
N-(4-bromophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471768
N-pyridin-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470963

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 79590364) is N-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is Cc1cccc(NC(=O)C2CCC3CCCCC3N2)c1O.
What is the InChIKey of N-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is RRNLSQMKDAKGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11-5-4-8-14(16(11)20)19-17(21)15-10-9-12-6-2-3-7-13(12)18-15/h4-5,8,12-13,15,18,20H,2-3,6-7,9-10H2,1H3,(H,19,21).
What are the key properties of N-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 79590364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).