6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid

C22H29N3O3 — CID 46326852

IUPAC6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid
SMILESCCCN(CCC)c1cc(C(=O)O)c2cc(NC(=O)C3CCCC3)ccc2n1
InChIInChI=1S/C22H29N3O3/c1-3-11-25(12-4-2)20-14-18(22(27)28)17-13-16(9-10-19(17)24-20)23-21(26)15-7-5-6-8-15/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,23,26)(H,27,28)
InChIKeyVQCIXPSORUTQHY-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.69
Rot. Bonds8

About 6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid

6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid (PubChem CID 46326852) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid
PubChem CID46326852
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid
SMILESCCCN(CCC)c1cc(C(=O)O)c2cc(NC(=O)C3CCCC3)ccc2n1
InChIInChI=1S/C22H29N3O3/c1-3-11-25(12-4-2)20-14-18(22(27)28)17-13-16(9-10-19(17)24-20)23-21(26)15-7-5-6-8-15/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,23,26)(H,27,28)
InChIKeyVQCIXPSORUTQHY-UHFFFAOYSA-N
XLogP4.69
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(dipropylamino)pyridazin-3-yl]cyclohexanecarboxamide
CID 113045130
6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50783577
4-(cyclooctanecarbonylamino)-2-methylbenzoic acid
CID 65019247
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(cyclopentanecarbonylamino)quinoline-4-carboxylic acid
CID 46327054
2-chloro-5-(cycloheptanecarbonylamino)benzoic acid
CID 62587194
2-chloro-5-(cyclooctanecarbonylamino)benzoic acid
CID 65019289
N-[2-(diethylamino)-4-oxo-1,3-benzothiazin-6-yl]cyclobutanecarboxamide
CID 42695019
6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784166
N-[4-(dipropylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1213799
4-(cyclohexanecarbonylamino)-N,N-dipropylbenzamide
CID 17196139
7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid
CID 90488075
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid?
The IUPAC name of 6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid (CID 46326852) is 6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid?
The canonical SMILES for 6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid is CCCN(CCC)c1cc(C(=O)O)c2cc(NC(=O)C3CCCC3)ccc2n1.
What is the InChIKey of 6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid?
The InChIKey is VQCIXPSORUTQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-11-25(12-4-2)20-14-18(22(27)28)17-13-16(9-10-19(17)24-20)23-21(26)15-7-5-6-8-15/h9-10,13-15H,3-8,11-12H2,1-2H3,(H,23,26)(H,27,28).
What are the key properties of 6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid?
6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid has a molecular weight of 383.49 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid is sourced from PubChem (CID 46326852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).