6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

C25H34FN5O2 — CID 162651146

IUPAC6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(N2CCC(N3CCOCC3)CC2)nc2ccc(F)cc12
InChIInChI=1S/C25H34FN5O2/c26-19-3-4-23-21(17-19)22(25(32)27-7-12-29-8-1-2-9-29)18-24(28-23)31-10-5-20(6-11-31)30-13-15-33-16-14-30/h3-4,17-18,20H,1-2,5-16H2,(H,27,32)
InChIKeyCXPNRHRMWVNGLH-UHFFFAOYSA-N
MW455.58 g/mol
LogP2.50
Rot. Bonds6

About 6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 162651146) has the molecular formula C25H34FN5O2 and a molecular weight of 455.58 g/mol. Its IUPAC name is 6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID162651146
Molecular FormulaC25H34FN5O2
Molecular Weight455.58 g/mol
Exact Mass455.27
IUPAC Name6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(N2CCC(N3CCOCC3)CC2)nc2ccc(F)cc12
InChIInChI=1S/C25H34FN5O2/c26-19-3-4-23-21(17-19)22(25(32)27-7-12-29-8-1-2-9-29)18-24(28-23)31-10-5-20(6-11-31)30-13-15-33-16-14-30/h3-4,17-18,20H,1-2,5-16H2,(H,27,32)
InChIKeyCXPNRHRMWVNGLH-UHFFFAOYSA-N
XLogP2.50
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-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 6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (CID 162651146) is 6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is O=C(NCCN1CCCC1)c1cc(N2CCC(N3CCOCC3)CC2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is CXPNRHRMWVNGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN5O2/c26-19-3-4-23-21(17-19)22(25(32)27-7-12-29-8-1-2-9-29)18-24(28-23)31-10-5-20(6-11-31)30-13-15-33-16-14-30/h3-4,17-18,20H,1-2,5-16H2,(H,27,32).
What are the key properties of 6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 162651146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).