1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid

C19H20N2O3 — CID 91942315

IUPAC1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(C=Cc1cccc2cccnc12)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C19H20N2O3/c22-16(21-19(18(23)24)11-2-1-3-12-19)10-9-15-7-4-6-14-8-5-13-20-17(14)15/h4-10,13H,1-3,11-12H2,(H,21,22)(H,23,24)
InChIKeyIWHYFPPRUYWTGY-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.15
Rot. Bonds4

About 1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid

1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid (PubChem CID 91942315) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid
PubChem CID91942315
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(C=Cc1cccc2cccnc12)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C19H20N2O3/c22-16(21-19(18(23)24)11-2-1-3-12-19)10-9-15-7-4-6-14-8-5-13-20-17(14)15/h4-10,13H,1-3,11-12H2,(H,21,22)(H,23,24)
InChIKeyIWHYFPPRUYWTGY-UHFFFAOYSA-N
XLogP3.15
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 45427851
1-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 43239156
1-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 43239133
N-benzhydryl-3-quinolin-8-ylprop-2-enamide
CID 55503823
N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide
CID 111445377
1-[3-(2,3-dimethoxyphenyl)prop-2-enoylamino]cyclohexane-1-carboxylic acid
CID 67179836
(E)-N-(1,3-benzodioxol-5-yl)-3-quinolin-8-ylprop-2-enamide
CID 51333506
1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 11522844
(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
CID 24623966
1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 71246696
(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
CID 24616881
1-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]cycloheptane-1-carboxylic acid
CID 43360673

Frequently Asked Questions

What is the IUPAC name of 1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid (CID 91942315) is 1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid is O=C(C=Cc1cccc2cccnc12)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is IWHYFPPRUYWTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-16(21-19(18(23)24)11-2-1-3-12-19)10-9-15-7-4-6-14-8-5-13-20-17(14)15/h4-10,13H,1-3,11-12H2,(H,21,22)(H,23,24).
What are the key properties of 1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid?
1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 91942315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).