2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide

C20H18N2O2 — CID 112796017

IUPAC2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c(O)c1
InChIInChI=1S/C20H18N2O2/c1-12-6-9-17(19(23)10-12)22-20(24)15-11-18(13-7-8-13)21-16-5-3-2-4-14(15)16/h2-6,9-11,13,23H,7-8H2,1H3,(H,22,24)
InChIKeyFXRKFKGHRBTFKG-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.38
Rot. Bonds3

About 2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide

2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide (PubChem CID 112796017) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide
PubChem CID112796017
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c(O)c1
InChIInChI=1S/C20H18N2O2/c1-12-6-9-17(19(23)10-12)22-20(24)15-11-18(13-7-8-13)21-16-5-3-2-4-14(15)16/h2-6,9-11,13,23H,7-8H2,1H3,(H,22,24)
InChIKeyFXRKFKGHRBTFKG-UHFFFAOYSA-N
XLogP4.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 9209411
N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide
CID 30456130
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide
CID 31745720
(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
CID 119360414
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate
CID 60578469
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119522890

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide (CID 112796017) is 2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide is Cc1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)c(O)c1.
What is the InChIKey of 2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is FXRKFKGHRBTFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-12-6-9-17(19(23)10-12)22-20(24)15-11-18(13-7-8-13)21-16-5-3-2-4-14(15)16/h2-6,9-11,13,23H,7-8H2,1H3,(H,22,24).
What are the key properties of 2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide?
2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 112796017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).