6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid

C26H36N6O4 — CID 50783577

IUPAC6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid
SMILESCN(C)CCNC(=O)CN1CCN(c2cc(C(=O)O)c3cc(NC(=O)C4CCCC4)ccc3n2)CC1
InChIInChI=1S/C26H36N6O4/c1-30(2)10-9-27-24(33)17-31-11-13-32(14-12-31)23-16-21(26(35)36)20-15-19(7-8-22(20)29-23)28-25(34)18-5-3-4-6-18/h7-8,15-16,18H,3-6,9-14,17H2,1-2H3,(H,27,33)(H,28,34)(H,35,36)
InChIKeyUCOBQODIIKEODX-UHFFFAOYSA-N
MW496.61 g/mol
LogP1.86
Rot. Bonds9

About 6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid

6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid (PubChem CID 50783577) has the molecular formula C26H36N6O4 and a molecular weight of 496.61 g/mol. Its IUPAC name is 6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid
PubChem CID50783577
Molecular FormulaC26H36N6O4
Molecular Weight496.61 g/mol
Exact Mass496.28
IUPAC Name6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid
SMILESCN(C)CCNC(=O)CN1CCN(c2cc(C(=O)O)c3cc(NC(=O)C4CCCC4)ccc3n2)CC1
InChIInChI=1S/C26H36N6O4/c1-30(2)10-9-27-24(33)17-31-11-13-32(14-12-31)23-16-21(26(35)36)20-15-19(7-8-22(20)29-23)28-25(34)18-5-3-4-6-18/h7-8,15-16,18H,3-6,9-14,17H2,1-2H3,(H,27,33)(H,28,34)(H,35,36)
InChIKeyUCOBQODIIKEODX-UHFFFAOYSA-N
XLogP1.86
TPSA118.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid with MolForge

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Related Compounds

6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784166
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(cyclopentanecarbonylamino)quinoline-4-carboxylic acid
CID 46327054
6-(methanesulfonamido)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50773074
6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784138
6-(3-methylbutanoylamino)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784091
2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-6-[(2-methoxyacetyl)amino]quinoline-4-carboxylic acid
CID 50784030
6-[(3,5-dimethylphenyl)sulfonylamino]-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50772313
6-(2,2-dimethylpropanoylamino)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784210
6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid
CID 46326852
6-[(2-chlorobenzoyl)amino]-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784084
6-(2,2-dimethylpropanoylamino)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784209
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-6-(propanoylamino)quinoline-4-carboxylic acid
CID 50783972

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid?
The IUPAC name of 6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid (CID 50783577) is 6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid is CN(C)CCNC(=O)CN1CCN(c2cc(C(=O)O)c3cc(NC(=O)C4CCCC4)ccc3n2)CC1.
What is the InChIKey of 6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid?
The InChIKey is UCOBQODIIKEODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O4/c1-30(2)10-9-27-24(33)17-31-11-13-32(14-12-31)23-16-21(26(35)36)20-15-19(7-8-22(20)29-23)28-25(34)18-5-3-4-6-18/h7-8,15-16,18H,3-6,9-14,17H2,1-2H3,(H,27,33)(H,28,34)(H,35,36).
What are the key properties of 6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid?
6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid has a molecular weight of 496.61 g/mol, XLogP of 1.86, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid is sourced from PubChem (CID 50783577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).