4-(dipropylamino)quinoline-2-carboxylic acid

C16H20N2O2 — CID 63528337

IUPAC4-(dipropylamino)quinoline-2-carboxylic acid
SMILESCCCN(CCC)c1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-3-9-18(10-4-2)15-11-14(16(19)20)17-13-8-6-5-7-12(13)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyMKYQQCZHTDKADO-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.56
Rot. Bonds6

About 4-(dipropylamino)quinoline-2-carboxylic acid

4-(dipropylamino)quinoline-2-carboxylic acid (PubChem CID 63528337) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(dipropylamino)quinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(dipropylamino)quinoline-2-carboxylic acid
PubChem CID63528337
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-(dipropylamino)quinoline-2-carboxylic acid
SMILESCCCN(CCC)c1cc(C(=O)O)nc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-3-9-18(10-4-2)15-11-14(16(19)20)17-13-8-6-5-7-12(13)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyMKYQQCZHTDKADO-UHFFFAOYSA-N
XLogP3.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-hydroxypropan-2-yl(methyl)amino]quinoline-2-carboxylic acid
CID 113426065
1-[ethyl(propyl)amino]isoquinoline-3-carboxylic acid
CID 43269013
4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid
CID 106916046
4-[2-cyanoethyl(propan-2-yl)amino]quinoline-2-carboxylic acid
CID 63377065
4-[2-cyanopropyl(methyl)amino]quinoline-2-carboxylic acid
CID 63377647
4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid
CID 63537181
2-(aminomethyl)-N,N-dibutylquinolin-4-amine
CID 63374040
4-[2-(dimethylamino)propylamino]quinoline-2-carboxylic acid
CID 63377739
N,N-dipropylacridine-9-carboxamide
CID 170440983
4-methylsulfanylquinoline-2-carboxylic acid
CID 63377616
4-hydrazinyl-N,N-dipropylquinoline-2-carboxamide
CID 63375200
N,N-dibutyl-2-(chloromethyl)quinolin-4-amine
CID 63445296

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)quinoline-2-carboxylic acid?
The IUPAC name of 4-(dipropylamino)quinoline-2-carboxylic acid (CID 63528337) is 4-(dipropylamino)quinoline-2-carboxylic acid.
What is the SMILES notation for 4-(dipropylamino)quinoline-2-carboxylic acid?
The canonical SMILES for 4-(dipropylamino)quinoline-2-carboxylic acid is CCCN(CCC)c1cc(C(=O)O)nc2ccccc12.
What is the InChIKey of 4-(dipropylamino)quinoline-2-carboxylic acid?
The InChIKey is MKYQQCZHTDKADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-9-18(10-4-2)15-11-14(16(19)20)17-13-8-6-5-7-12(13)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20).
What are the key properties of 4-(dipropylamino)quinoline-2-carboxylic acid?
4-(dipropylamino)quinoline-2-carboxylic acid has a molecular weight of 272.35 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 4-(dipropylamino)quinoline-2-carboxylic acid is sourced from PubChem (CID 63528337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).