2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid

C17H20N2O2 — CID 61441562

IUPAC2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid
SMILESCCCN(CC1CC1)c1nc2ccccc2cc1C(=O)O
InChIInChI=1S/C17H20N2O2/c1-2-9-19(11-12-7-8-12)16-14(17(20)21)10-13-5-3-4-6-15(13)18-16/h3-6,10,12H,2,7-9,11H2,1H3,(H,20,21)
InChIKeyODBAIVRSPNKSKL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.56
Rot. Bonds6

About 2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid

2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid (PubChem CID 61441562) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid
PubChem CID61441562
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid
SMILESCCCN(CC1CC1)c1nc2ccccc2cc1C(=O)O
InChIInChI=1S/C17H20N2O2/c1-2-9-19(11-12-7-8-12)16-14(17(20)21)10-13-5-3-4-6-15(13)18-16/h3-6,10,12H,2,7-9,11H2,1H3,(H,20,21)
InChIKeyODBAIVRSPNKSKL-UHFFFAOYSA-N
XLogP3.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid?
The IUPAC name of 2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid (CID 61441562) is 2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid?
The canonical SMILES for 2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid is CCCN(CC1CC1)c1nc2ccccc2cc1C(=O)O.
What is the InChIKey of 2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid?
The InChIKey is ODBAIVRSPNKSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-9-19(11-12-7-8-12)16-14(17(20)21)10-13-5-3-4-6-15(13)18-16/h3-6,10,12H,2,7-9,11H2,1H3,(H,20,21).
What are the key properties of 2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid?
2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 61441562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).