4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid

C19H24N2O2 — CID 134386052

IUPAC4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid
SMILESCc1nc2cccc(CCC3CCCCC3)c2c(N)c1C(=O)O
InChIInChI=1S/C19H24N2O2/c1-12-16(19(22)23)18(20)17-14(8-5-9-15(17)21-12)11-10-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-11H2,1H3,(H2,20,21)(H,22,23)
InChIKeyBSMRMEOFMRDXQX-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.34
Rot. Bonds4

About 4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid

4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid (PubChem CID 134386052) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid
PubChem CID134386052
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid
SMILESCc1nc2cccc(CCC3CCCCC3)c2c(N)c1C(=O)O
InChIInChI=1S/C19H24N2O2/c1-12-16(19(22)23)18(20)17-14(8-5-9-15(17)21-12)11-10-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-11H2,1H3,(H2,20,21)(H,22,23)
InChIKeyBSMRMEOFMRDXQX-UHFFFAOYSA-N
XLogP4.34
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid (CID 134386052) is 4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid is Cc1nc2cccc(CCC3CCCCC3)c2c(N)c1C(=O)O.
What is the InChIKey of 4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid?
The InChIKey is BSMRMEOFMRDXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-12-16(19(22)23)18(20)17-14(8-5-9-15(17)21-12)11-10-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-11H2,1H3,(H2,20,21)(H,22,23).
What are the key properties of 4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid?
4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid has a molecular weight of 312.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-cyclohexylethyl)-2-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 134386052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).