1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid

C21H24N2O3 — CID 120539985

IUPAC1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)c1cc(C2CC2)nc2ccccc12)C1(C(=O)O)CCCCC1
InChIInChI=1S/C21H24N2O3/c1-23(21(20(25)26)11-5-2-6-12-21)19(24)16-13-18(14-9-10-14)22-17-8-4-3-7-15(16)17/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3,(H,25,26)
InChIKeyQXVGQXXZNMICRW-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.97
Rot. Bonds4

About 1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid

1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid (PubChem CID 120539985) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
PubChem CID120539985
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)c1cc(C2CC2)nc2ccccc12)C1(C(=O)O)CCCCC1
InChIInChI=1S/C21H24N2O3/c1-23(21(20(25)26)11-5-2-6-12-21)19(24)16-13-18(14-9-10-14)22-17-8-4-3-7-15(16)17/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3,(H,25,26)
InChIKeyQXVGQXXZNMICRW-UHFFFAOYSA-N
XLogP3.97
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
CID 55469564
1-[1-benzothiophene-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120540233
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654354
1-[1-benzofuran-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120539512
1-[(2-iodobenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539755
2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84635932
2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
CID 119824385
1-(2-cyclopropylquinoline-4-carbonyl)-3-hydroxypiperidine-3-carboxylic acid
CID 126838949
2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 119062230
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylquinoline-4-carboxamide
CID 31363966
2-cyclopropyl-N-[(1-phenylcyclopropyl)methyl]quinoline-4-carboxamide
CID 46533084

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid (CID 120539985) is 1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid is CN(C(=O)c1cc(C2CC2)nc2ccccc12)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is QXVGQXXZNMICRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-23(21(20(25)26)11-5-2-6-12-21)19(24)16-13-18(14-9-10-14)22-17-8-4-3-7-15(16)17/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3,(H,25,26).
What are the key properties of 1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid?
1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 352.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).