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

C22H30FN5O2 — CID 162663585

IUPAC6-fluoro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(NCCN2CCOCC2)nc2ccc(F)cc12
InChIInChI=1S/C22H30FN5O2/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)
InChIKeyYGIHALHAXUKJCC-UHFFFAOYSA-N
MW415.51 g/mol
LogP1.94
Rot. Bonds8

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

6-fluoro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 162663585) has the molecular formula C22H30FN5O2 and a molecular weight of 415.51 g/mol. Its IUPAC name is 6-fluoro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID162663585
Molecular FormulaC22H30FN5O2
Molecular Weight415.51 g/mol
Exact Mass415.24
IUPAC Name6-fluoro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(NCCN2CCOCC2)nc2ccc(F)cc12
InChIInChI=1S/C22H30FN5O2/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)
InChIKeyYGIHALHAXUKJCC-UHFFFAOYSA-N
XLogP1.94
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-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

Related Compounds

Cabamiquine
CID 71748268
N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
CID 5067281
4-Butyl-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-benzamide
CID 3410248
6-fluoro-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 71767101
2-(2,6-Difluorophenyl)-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341389
4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide
CID 3237927
2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 10093232
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide
CID 15987804
N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-4-propylcyclohexane-1-carboxamide
CID 16759188
2-{4-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 25093400
2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-carboxylic acid diethylamide
CID 11210859
N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 11222968

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (CID 162663585) is 6-fluoro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is O=C(NCCN1CCCC1)c1cc(NCCN2CCOCC2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is YGIHALHAXUKJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O2/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-fluoro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
6-fluoro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-morpholin-4-ylethylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 162663585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).