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

C25H34ClN5O2 — CID 162675324

IUPAC6-chloro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(N2CCC(N3CCOCC3)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C25H34ClN5O2/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)
InChIKeyLIABFQGQUOFPIC-UHFFFAOYSA-N
MW472.03 g/mol
LogP3.01
Rot. Bonds6

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

6-chloro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 162675324) has the molecular formula C25H34ClN5O2 and a molecular weight of 472.03 g/mol. Its IUPAC name is 6-chloro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID162675324
Molecular FormulaC25H34ClN5O2
Molecular Weight472.03 g/mol
Exact Mass471.24
IUPAC Name6-chloro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(N2CCC(N3CCOCC3)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C25H34ClN5O2/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)
InChIKeyLIABFQGQUOFPIC-UHFFFAOYSA-N
XLogP3.01
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.03
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (CID 162675324) is 6-chloro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is O=C(NCCN1CCCC1)c1cc(N2CCC(N3CCOCC3)CC2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is LIABFQGQUOFPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN5O2/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-chloro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
6-chloro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 472.03 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-morpholin-4-ylpiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 162675324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).