4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid

C14H14N2O2 — CID 56833188

IUPAC4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid
SMILESCc1nc2cccc(C3CC3)c2c(N)c1C(=O)O
InChIInChI=1S/C14H14N2O2/c1-7-11(14(17)18)13(15)12-9(8-5-6-8)3-2-4-10(12)16-7/h2-4,8H,5-6H2,1H3,(H2,15,16)(H,17,18)
InChIKeyJJOZNAYPTVCFLK-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.70
Rot. Bonds2

About 4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid

4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid (PubChem CID 56833188) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid
PubChem CID56833188
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid
SMILESCc1nc2cccc(C3CC3)c2c(N)c1C(=O)O
InChIInChI=1S/C14H14N2O2/c1-7-11(14(17)18)13(15)12-9(8-5-6-8)3-2-4-10(12)16-7/h2-4,8H,5-6H2,1H3,(H2,15,16)(H,17,18)
InChIKeyJJOZNAYPTVCFLK-UHFFFAOYSA-N
XLogP2.70
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid (CID 56833188) is 4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid is Cc1nc2cccc(C3CC3)c2c(N)c1C(=O)O.
What is the InChIKey of 4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid?
The InChIKey is JJOZNAYPTVCFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-7-11(14(17)18)13(15)12-9(8-5-6-8)3-2-4-10(12)16-7/h2-4,8H,5-6H2,1H3,(H2,15,16)(H,17,18).
What are the key properties of 4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid?
4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-2-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 56833188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).