6-fluoro-2-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

C23H32FN5O2 — CID 162655834

IUPAC6-fluoro-2-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(NCCCN2CCOCC2)nc2ccc(F)cc12
InChIInChI=1S/C23H32FN5O2/c24-18-4-5-21-19(16-18)20(23(30)26-7-11-28-8-1-2-9-28)17-22(27-21)25-6-3-10-29-12-14-31-15-13-29/h4-5,16-17H,1-3,6-15H2,(H,25,27)(H,26,30)
InChIKeyYSVTVMDKFOMONP-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.33
Rot. Bonds9

About 6-fluoro-2-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

6-fluoro-2-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 162655834) has the molecular formula C23H32FN5O2 and a molecular weight of 429.54 g/mol. Its IUPAC name is 6-fluoro-2-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID162655834
Molecular FormulaC23H32FN5O2
Molecular Weight429.54 g/mol
Exact Mass429.25
IUPAC Name6-fluoro-2-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc(NCCCN2CCOCC2)nc2ccc(F)cc12
InChIInChI=1S/C23H32FN5O2/c24-18-4-5-21-19(16-18)20(23(30)26-7-11-28-8-1-2-9-28)17-22(27-21)25-6-3-10-29-12-14-31-15-13-29/h4-5,16-17H,1-3,6-15H2,(H,25,27)(H,26,30)
InChIKeyYSVTVMDKFOMONP-UHFFFAOYSA-N
XLogP2.33
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
8-[1-(3-fluoroanilino)ethyl]-N-[2-(methylamino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030093
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-{3-[2-methyl-4-(quinolin-2-yl)piperazin-1-yl]propyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 25093402
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-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (CID 162655834) is 6-fluoro-2-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is O=C(NCCN1CCCC1)c1cc(NCCCN2CCOCC2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is YSVTVMDKFOMONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5O2/c24-18-4-5-21-19(16-18)20(23(30)26-7-11-28-8-1-2-9-28)17-22(27-21)25-6-3-10-29-12-14-31-15-13-29/h4-5,16-17H,1-3,6-15H2,(H,25,27)(H,26,30).
What are the key properties of 6-fluoro-2-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
6-fluoro-2-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(3-morpholin-4-ylpropylamino)-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 162655834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).