2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide

C27H24N2O — CID 5045175

IUPAC2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCc4ccccc43)c3ccccc3n2)cc1
InChIInChI=1S/C27H24N2O/c1-18-13-15-20(16-14-18)26-17-23(22-10-4-5-11-25(22)28-26)27(30)29-24-12-6-8-19-7-2-3-9-21(19)24/h2-5,7,9-11,13-17,24H,6,8,12H2,1H3,(H,29,30)
InChIKeyPZBFSFXTHBGTJT-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.02
Rot. Bonds3

About 2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide

2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide (PubChem CID 5045175) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
PubChem CID5045175
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCc4ccccc43)c3ccccc3n2)cc1
InChIInChI=1S/C27H24N2O/c1-18-13-15-20(16-14-18)26-17-23(22-10-4-5-11-25(22)28-26)27(30)29-24-12-6-8-19-7-2-3-9-21(19)24/h2-5,7,9-11,13-17,24H,6,8,12H2,1H3,(H,29,30)
InChIKeyPZBFSFXTHBGTJT-UHFFFAOYSA-N
XLogP6.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethylpyrazol-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 19583652
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 92773019
1-ethyl-3-methyl-6-(4-methylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51852866
2,5-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7919785
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide
CID 129423269
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 46091052
3-[(2-hydroxy-5-methylbenzoyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)naphthalene-2-carboxamide
CID 11633785
N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide
CID 5141902
2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide
CID 94130731
2-methyl-6-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 123793614
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532
6-cyclopropyl-1-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 19617243

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide (CID 5045175) is 2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NC3CCCc4ccccc43)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide?
The InChIKey is PZBFSFXTHBGTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-18-13-15-20(16-14-18)26-17-23(22-10-4-5-11-25(22)28-26)27(30)29-24-12-6-8-19-7-2-3-9-21(19)24/h2-5,7,9-11,13-17,24H,6,8,12H2,1H3,(H,29,30).
What are the key properties of 2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide?
2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 5045175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).