N-[(1S)-2,3-dihydro-1H-inden-1-yl]-8-(3,5-dimethylpiperidin-1-yl)-7-fluoro-4-morpholin-4-ylquinoline-3-carboxamide

C30H35FN4O2 — CID 137473950

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-8-(3,5-dimethylpiperidin-1-yl)-7-fluoro-4-morpholin-4-ylquinoline-3-carboxamide
SMILESCC1CC(C)CN(c2c(F)ccc3c(N4CCOCC4)c(C(=O)N[C@H]4CCc5ccccc54)cnc23)C1
InChIInChI=1S/C30H35FN4O2/c1-19-15-20(2)18-35(17-19)29-25(31)9-8-23-27(29)32-16-24(28(23)34-11-13-37-14-12-34)30(36)33-26-10-7-21-5-3-4-6-22(21)26/h3-6,8-9,16,19-20,26H,7,10-15,17-18H2,1-2H3,(H,33,36)/t19?,20?,26-/m0/s1
InChIKeyWHNUGHVJMRZVLE-SALGDXJJSA-N
MW502.63 g/mol
LogP5.11
Rot. Bonds4

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-8-(3,5-dimethylpiperidin-1-yl)-7-fluoro-4-morpholin-4-ylquinoline-3-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-8-(3,5-dimethylpiperidin-1-yl)-7-fluoro-4-morpholin-4-ylquinoline-3-carboxamide (PubChem CID 137473950) has the molecular formula C30H35FN4O2 and a molecular weight of 502.63 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-8-(3,5-dimethylpiperidin-1-yl)-7-fluoro-4-morpholin-4-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-8-(3,5-dimethylpiperidin-1-yl)-7-fluoro-4-morpholin-4-ylquinoline-3-carboxamide
PubChem CID137473950
Molecular FormulaC30H35FN4O2
Molecular Weight502.63 g/mol
Exact Mass502.27
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-8-(3,5-dimethylpiperidin-1-yl)-7-fluoro-4-morpholin-4-ylquinoline-3-carboxamide
SMILESCC1CC(C)CN(c2c(F)ccc3c(N4CCOCC4)c(C(=O)N[C@H]4CCc5ccccc54)cnc23)C1
InChIInChI=1S/C30H35FN4O2/c1-19-15-20(2)18-35(17-19)29-25(31)9-8-23-27(29)32-16-24(28(23)34-11-13-37-14-12-34)30(36)33-26-10-7-21-5-3-4-6-22(21)26/h3-6,8-9,16,19-20,26H,7,10-15,17-18H2,1-2H3,(H,33,36)/t19?,20?,26-/m0/s1
InChIKeyWHNUGHVJMRZVLE-SALGDXJJSA-N
XLogP5.11
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.63
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-3-fluoropyridine-4-carboxamide
CID 115645626
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-yl-1,5-naphthyridine-3-carboxamide
CID 137372253
8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-7-fluoroquinoline-3-carboxamide
CID 134497953
4-(azetidin-1-yl)-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134511570
N-(2,3-dihydroindol-1-yl)-4-morpholin-4-yl-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 155355669
6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide
CID 163397192
N-[(4R)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-2-morpholin-4-ylbenzamide
CID 94873327
6-morpholin-4-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-4-carboxamide
CID 124727741
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide
CID 171547623
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555
2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974624

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-8-(3,5-dimethylpiperidin-1-yl)-7-fluoro-4-morpholin-4-ylquinoline-3-carboxamide?
The IUPAC name of 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) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-8-(3,5-dimethylpiperidin-1-yl)-7-fluoro-4-morpholin-4-ylquinoline-3-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-8-(3,5-dimethylpiperidin-1-yl)-7-fluoro-4-morpholin-4-ylquinoline-3-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-8-(3,5-dimethylpiperidin-1-yl)-7-fluoro-4-morpholin-4-ylquinoline-3-carboxamide is CC1CC(C)CN(c2c(F)ccc3c(N4CCOCC4)c(C(=O)N[C@H]4CCc5ccccc54)cnc23)C1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-8-(3,5-dimethylpiperidin-1-yl)-7-fluoro-4-morpholin-4-ylquinoline-3-carboxamide?
The InChIKey is WHNUGHVJMRZVLE-SALGDXJJSA-N. The full InChI is InChI=1S/C30H35FN4O2/c1-19-15-20(2)18-35(17-19)29-25(31)9-8-23-27(29)32-16-24(28(23)34-11-13-37-14-12-34)30(36)33-26-10-7-21-5-3-4-6-22(21)26/h3-6,8-9,16,19-20,26H,7,10-15,17-18H2,1-2H3,(H,33,36)/t19?,20?,26-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-8-(3,5-dimethylpiperidin-1-yl)-7-fluoro-4-morpholin-4-ylquinoline-3-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-8-(3,5-dimethylpiperidin-1-yl)-7-fluoro-4-morpholin-4-ylquinoline-3-carboxamide has a molecular weight of 502.63 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-8-(3,5-dimethylpiperidin-1-yl)-7-fluoro-4-morpholin-4-ylquinoline-3-carboxamide is sourced from PubChem (CID 137473950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).