5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide

C16H19ClN4O2 — CID 58368629

IUPAC5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide
SMILESNC(=O)c1cc(Cl)c2cccnc2c1N1CCN(CCO)CC1
InChIInChI=1S/C16H19ClN4O2/c17-13-10-12(16(18)23)15(14-11(13)2-1-3-19-14)21-6-4-20(5-7-21)8-9-22/h1-3,10,22H,4-9H2,(H2,18,23)
InChIKeyRVRRSEGCJBBTJA-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.10
Rot. Bonds4

About 5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide

5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide (PubChem CID 58368629) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide.

Molecular Properties

Compound Name5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide
PubChem CID58368629
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide
SMILESNC(=O)c1cc(Cl)c2cccnc2c1N1CCN(CCO)CC1
InChIInChI=1S/C16H19ClN4O2/c17-13-10-12(16(18)23)15(14-11(13)2-1-3-19-14)21-6-4-20(5-7-21)8-9-22/h1-3,10,22H,4-9H2,(H2,18,23)
InChIKeyRVRRSEGCJBBTJA-UHFFFAOYSA-N
XLogP1.10
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide?
The IUPAC name of 5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide (CID 58368629) is 5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide.
What is the SMILES notation for 5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide?
The canonical SMILES for 5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide is NC(=O)c1cc(Cl)c2cccnc2c1N1CCN(CCO)CC1.
What is the InChIKey of 5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide?
The InChIKey is RVRRSEGCJBBTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c17-13-10-12(16(18)23)15(14-11(13)2-1-3-19-14)21-6-4-20(5-7-21)8-9-22/h1-3,10,22H,4-9H2,(H2,18,23).
What are the key properties of 5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide?
5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-[4-(2-hydroxyethyl)piperazin-1-yl]quinoline-7-carboxamide is sourced from PubChem (CID 58368629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).