1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid

C17H18N2O3 — CID 22712404

IUPAC1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1ccc2ccccc2n1
InChIInChI=1S/C17H18N2O3/c20-15(19-17(16(21)22)10-4-1-5-11-17)14-9-8-12-6-2-3-7-13(12)18-14/h2-3,6-9H,1,4-5,10-11H2,(H,19,20)(H,21,22)
InChIKeyAXHYALFCSJRURP-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.75
Rot. Bonds3

About 1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid

1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 22712404) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID22712404
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1ccc2ccccc2n1
InChIInChI=1S/C17H18N2O3/c20-15(19-17(16(21)22)10-4-1-5-11-17)14-9-8-12-6-2-3-7-13(12)18-14/h2-3,6-9H,1,4-5,10-11H2,(H,19,20)(H,21,22)
InChIKeyAXHYALFCSJRURP-UHFFFAOYSA-N
XLogP2.75
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81165272
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
4-[(7-chloroquinoline-2-carbonyl)amino]thiane-4-carboxylic acid
CID 120531087
N-piperidin-1-ylquinoline-2-carboxamide
CID 9270998
1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114035166
1-(quinoline-4-carbonylamino)cyclopentane-1-carboxylic acid
CID 112726709
methyl 1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylate;1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 162200373
1-[[4-chloro-1-(quinolin-2-ylmethoxy)naphthalene-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 23132798
N-(1-quinolin-2-ylcyclohexyl)propanamide
CID 137371294
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
methyl 1-[[4-(dimethylamino)quinoline-2-carbonyl]amino]cyclohexane-1-carboxylate
CID 166184609
europium;quinoline-2-carboxylic acid
CID 87730482

Frequently Asked Questions

What is the IUPAC name of 1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid (CID 22712404) is 1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1ccc2ccccc2n1.
What is the InChIKey of 1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is AXHYALFCSJRURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-15(19-17(16(21)22)10-4-1-5-11-17)14-9-8-12-6-2-3-7-13(12)18-14/h2-3,6-9H,1,4-5,10-11H2,(H,19,20)(H,21,22).
What are the key properties of 1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid?
1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22712404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).