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

C22H30ClN5O2 — CID 122196553

IUPAC6-chloro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(NCCN2CCOCC2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H30ClN5O2/c23-17-3-4-20-18(15-17)19(22(29)25-6-10-27-7-1-2-8-27)16-21(26-20)24-5-9-28-11-13-30-14-12-28/h3-4,15-16H,1-2,5-14H2,(H,24,26)(H,25,29)
InChIKeyUBYPYZJJWXISEX-UHFFFAOYSA-N
MW431.97 g/mol
LogP2.46
Rot. Bonds8

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

6-chloro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 122196553) has the molecular formula C22H30ClN5O2 and a molecular weight of 431.97 g/mol. Its IUPAC name is 6-chloro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID122196553
Molecular FormulaC22H30ClN5O2
Molecular Weight431.97 g/mol
Exact Mass431.21
IUPAC Name6-chloro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(NCCN2CCOCC2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H30ClN5O2/c23-17-3-4-20-18(15-17)19(22(29)25-6-10-27-7-1-2-8-27)16-21(26-20)24-5-9-28-11-13-30-14-12-28/h3-4,15-16H,1-2,5-14H2,(H,24,26)(H,25,29)
InChIKeyUBYPYZJJWXISEX-UHFFFAOYSA-N
XLogP2.46
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.97
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-(2-morpholin-4-ylethylamino)-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-chloro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (CID 122196553) is 6-chloro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is O=C(NCCN1CCCC1)c1cc(NCCN2CCOCC2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is UBYPYZJJWXISEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN5O2/c23-17-3-4-20-18(15-17)19(22(29)25-6-10-27-7-1-2-8-27)16-21(26-20)24-5-9-28-11-13-30-14-12-28/h3-4,15-16H,1-2,5-14H2,(H,24,26)(H,25,29).
What are the key properties of 6-chloro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
6-chloro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 431.97 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 122196553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).