6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid

C25H33N5O4 — CID 50784166

IUPAC6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid
SMILESCC(C)CNC(=O)CN1CCN(c2cc(C(=O)O)c3cc(NC(=O)C4CCC4)ccc3n2)CC1
InChIInChI=1S/C25H33N5O4/c1-16(2)14-26-23(31)15-29-8-10-30(11-9-29)22-13-20(25(33)34)19-12-18(6-7-21(19)28-22)27-24(32)17-4-3-5-17/h6-7,12-13,16-17H,3-5,8-11,14-15H2,1-2H3,(H,26,31)(H,27,32)(H,33,34)
InChIKeyRMNVLRKNRXVHBI-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.57
Rot. Bonds8

About 6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid

6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid (PubChem CID 50784166) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is 6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid
PubChem CID50784166
Molecular FormulaC25H33N5O4
Molecular Weight467.57 g/mol
Exact Mass467.25
IUPAC Name6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid
SMILESCC(C)CNC(=O)CN1CCN(c2cc(C(=O)O)c3cc(NC(=O)C4CCC4)ccc3n2)CC1
InChIInChI=1S/C25H33N5O4/c1-16(2)14-26-23(31)15-29-8-10-30(11-9-29)22-13-20(25(33)34)19-12-18(6-7-21(19)28-22)27-24(32)17-4-3-5-17/h6-7,12-13,16-17H,3-5,8-11,14-15H2,1-2H3,(H,26,31)(H,27,32)(H,33,34)
InChIKeyRMNVLRKNRXVHBI-UHFFFAOYSA-N
XLogP2.57
TPSA114.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid with MolForge

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Related Compounds

6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50783577
6-(3-methylbutanoylamino)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784091
6-acetamido-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784138
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-(cyclopentanecarbonylamino)quinoline-4-carboxylic acid
CID 46327054
6-(2,2-dimethylpropanoylamino)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784210
6-(2,2-dimethylpropanoylamino)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]quinoline-4-carboxylic acid
CID 50784209
6-(methanesulfonamido)-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50773074
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-6-(propanoylamino)quinoline-4-carboxylic acid
CID 50783972
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
2-(4-ethoxycarbonylpiperazin-1-yl)-6-(3-methylbutanoylamino)quinoline-4-carboxylic acid
CID 46326975
6-[(3-fluorophenyl)sulfonylamino]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50773030

Frequently Asked Questions

What is the IUPAC name of 6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid?
The IUPAC name of 6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid (CID 50784166) is 6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid?
The canonical SMILES for 6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid is CC(C)CNC(=O)CN1CCN(c2cc(C(=O)O)c3cc(NC(=O)C4CCC4)ccc3n2)CC1.
What is the InChIKey of 6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid?
The InChIKey is RMNVLRKNRXVHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4/c1-16(2)14-26-23(31)15-29-8-10-30(11-9-29)22-13-20(25(33)34)19-12-18(6-7-21(19)28-22)27-24(32)17-4-3-5-17/h6-7,12-13,16-17H,3-5,8-11,14-15H2,1-2H3,(H,26,31)(H,27,32)(H,33,34).
What are the key properties of 6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid?
6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid has a molecular weight of 467.57 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclobutanecarbonylamino)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid is sourced from PubChem (CID 50784166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).