N-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide

C28H23F3N4O2 — CID 155355669

IUPACN-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
SMILESO=C(NN1CCc2ccccc21)c1cnc2c(-c3cc(F)cc(F)c3F)cccc2c1N1CCOCC1
InChIInChI=1S/C28H23F3N4O2/c29-18-14-21(25(31)23(30)15-18)19-5-3-6-20-26(19)32-16-22(27(20)34-10-12-37-13-11-34)28(36)33-35-9-8-17-4-1-2-7-24(17)35/h1-7,14-16H,8-13H2,(H,33,36)
InChIKeyMNDLPFFGUKMWNJ-UHFFFAOYSA-N
MW504.51 g/mol
LogP4.86
Rot. Bonds4

About N-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide

N-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide (PubChem CID 155355669) has the molecular formula C28H23F3N4O2 and a molecular weight of 504.51 g/mol. Its IUPAC name is N-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
PubChem CID155355669
Molecular FormulaC28H23F3N4O2
Molecular Weight504.51 g/mol
Exact Mass504.18
IUPAC NameN-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
SMILESO=C(NN1CCc2ccccc21)c1cnc2c(-c3cc(F)cc(F)c3F)cccc2c1N1CCOCC1
InChIInChI=1S/C28H23F3N4O2/c29-18-14-21(25(31)23(30)15-18)19-5-3-6-20-26(19)32-16-22(27(20)34-10-12-37-13-11-34)28(36)33-35-9-8-17-4-1-2-7-24(17)35/h1-7,14-16H,8-13H2,(H,33,36)
InChIKeyMNDLPFFGUKMWNJ-UHFFFAOYSA-N
XLogP4.86
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide;molecular hydrogen
CID 163389150
4-(3,4-difluoropyrrolidin-1-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-7-fluoro-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 169227473
8-(6-chloropyrazin-2-yl)-N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-ylquinoline-3-carboxamide
CID 155355679
N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[methoxy(methyl)amino]-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide
CID 155355625
4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 134502143
N-(2,3-dihydro-1,4-benzoxazin-4-yl)-7-fluoro-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 175737841
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-8-(3,5-dimethylpiperidin-1-yl)-7-fluoro-4-morpholin-4-ylquinoline-3-carboxamide
CID 137473950
N-(3,4-dihydro-2H-chromen-4-yl)-4-(methoxymethyl)-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 134511483
ethyl 4-bromo-8-(2,3,5-trifluorophenyl)quinoline-3-carboxylate
CID 156881977
2,3-dihydroindol-1-ylurea
CID 22353227
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
4-anilino-8-morpholin-4-ylquinoline-3-carboxylate
CID 7719257

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide?
The IUPAC name of N-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide (CID 155355669) is N-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide?
The canonical SMILES for N-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide is O=C(NN1CCc2ccccc21)c1cnc2c(-c3cc(F)cc(F)c3F)cccc2c1N1CCOCC1.
What is the InChIKey of N-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide?
The InChIKey is MNDLPFFGUKMWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N4O2/c29-18-14-21(25(31)23(30)15-18)19-5-3-6-20-26(19)32-16-22(27(20)34-10-12-37-13-11-34)28(36)33-35-9-8-17-4-1-2-7-24(17)35/h1-7,14-16H,8-13H2,(H,33,36).
What are the key properties of N-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide?
N-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide has a molecular weight of 504.51 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide is sourced from PubChem (CID 155355669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).