1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid

C18H22N2O4 — CID 120512742

IUPAC1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCN1C(=O)CCc2cc(C(=O)NC3(C(=O)O)CCCCC3)ccc21
InChIInChI=1S/C18H22N2O4/c1-20-14-7-5-13(11-12(14)6-8-15(20)21)16(22)19-18(17(23)24)9-3-2-4-10-18/h5,7,11H,2-4,6,8-10H2,1H3,(H,19,22)(H,23,24)
InChIKeyQYCNEQJWISYXAP-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.11
Rot. Bonds3

About 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120512742) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120512742
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCN1C(=O)CCc2cc(C(=O)NC3(C(=O)O)CCCCC3)ccc21
InChIInChI=1S/C18H22N2O4/c1-20-14-7-5-13(11-12(14)6-8-15(20)21)16(22)19-18(17(23)24)9-3-2-4-10-18/h5,7,11H,2-4,6,8-10H2,1H3,(H,19,22)(H,23,24)
InChIKeyQYCNEQJWISYXAP-UHFFFAOYSA-N
XLogP2.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120512742) is 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid is CN1C(=O)CCc2cc(C(=O)NC3(C(=O)O)CCCCC3)ccc21.
What is the InChIKey of 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is QYCNEQJWISYXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-20-14-7-5-13(11-12(14)6-8-15(20)21)16(22)19-18(17(23)24)9-3-2-4-10-18/h5,7,11H,2-4,6,8-10H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120512742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).