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

C23H32FN5O3 — CID 162651076

IUPAC6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(NCCCN2CCOCC2)nc2ccc(F)cc12
InChIInChI=1S/C23H32FN5O3/c24-18-2-3-21-19(16-18)20(23(30)26-5-7-29-10-14-32-15-11-29)17-22(27-21)25-4-1-6-28-8-12-31-13-9-28/h2-3,16-17H,1,4-15H2,(H,25,27)(H,26,30)
InChIKeyPLZAATCUZCGOPQ-UHFFFAOYSA-N
MW445.54 g/mol
LogP1.57
Rot. Bonds9

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

6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide (PubChem CID 162651076) has the molecular formula C23H32FN5O3 and a molecular weight of 445.54 g/mol. Its IUPAC name is 6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide
PubChem CID162651076
Molecular FormulaC23H32FN5O3
Molecular Weight445.54 g/mol
Exact Mass445.25
IUPAC Name6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(NCCCN2CCOCC2)nc2ccc(F)cc12
InChIInChI=1S/C23H32FN5O3/c24-18-2-3-21-19(16-18)20(23(30)26-5-7-29-10-14-32-15-11-29)17-22(27-21)25-4-1-6-28-8-12-31-13-9-28/h2-3,16-17H,1,4-15H2,(H,25,27)(H,26,30)
InChIKeyPLZAATCUZCGOPQ-UHFFFAOYSA-N
XLogP1.57
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
CID 42750139
N-(2-morpholin-4-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]quinoline-4-carboxamide
CID 117090394
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 55138823
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
6-chloro-2-[4-(4,4-difluoropiperidin-1-yl)butylamino]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 122196554
4-fluoro-N-(3-morpholin-4-ylpropyl)-2-nitrobenzamide
CID 21240823
4-fluoro-2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 118913406
6-methyl-2-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 3485434
2-chloro-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 117094318
2-(4-methoxyanilino)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 24793582
6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 2933815

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide (CID 162651076) is 6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide is O=C(NCCN1CCOCC1)c1cc(NCCCN2CCOCC2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide?
The InChIKey is PLZAATCUZCGOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5O3/c24-18-2-3-21-19(16-18)20(23(30)26-5-7-29-10-14-32-15-11-29)17-22(27-21)25-4-1-6-28-8-12-31-13-9-28/h2-3,16-17H,1,4-15H2,(H,25,27)(H,26,30).
What are the key properties of 6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide?
6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 1.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-morpholin-4-ylethyl)-2-(3-morpholin-4-ylpropylamino)quinoline-4-carboxamide is sourced from PubChem (CID 162651076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).