8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide

C27H29F2N3O5 — CID 164600836

IUPAC8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide
SMILESCOC[C@@H]1CN(c2cc(=O)c3cc(C(=O)N(C)C)cc(CN4CCc5c(F)cc(F)cc54)c3o2)CCO1
InChIInChI=1S/C27H29F2N3O5/c1-30(2)27(34)16-8-17(13-31-5-4-20-22(29)10-18(28)11-23(20)31)26-21(9-16)24(33)12-25(37-26)32-6-7-36-19(14-32)15-35-3/h8-12,19H,4-7,13-15H2,1-3H3/t19-/m0/s1
InChIKeyJOQOQAMVPOKRLT-IBGZPJMESA-N
MW513.54 g/mol
LogP3.19
Rot. Bonds6

About 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide

8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide (PubChem CID 164600836) has the molecular formula C27H29F2N3O5 and a molecular weight of 513.54 g/mol. Its IUPAC name is 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide
PubChem CID164600836
Molecular FormulaC27H29F2N3O5
Molecular Weight513.54 g/mol
Exact Mass513.21
IUPAC Name8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide
SMILESCOC[C@@H]1CN(c2cc(=O)c3cc(C(=O)N(C)C)cc(CN4CCc5c(F)cc(F)cc54)c3o2)CCO1
InChIInChI=1S/C27H29F2N3O5/c1-30(2)27(34)16-8-17(13-31-5-4-20-22(29)10-18(28)11-23(20)31)26-21(9-16)24(33)12-25(37-26)32-6-7-36-19(14-32)15-35-3/h8-12,19H,4-7,13-15H2,1-3H3/t19-/m0/s1
InChIKeyJOQOQAMVPOKRLT-IBGZPJMESA-N
XLogP3.19
TPSA75.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.54
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide with MolForge

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Related Compounds

N,N-dimethyl-8-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 164600797
8-[1-(3,5-difluoroanilino)ethyl]-N,N-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide
CID 58235059
8-[[N-(2-cyanoethyl)-3,5-difluoroanilino]methyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 127046089
8-(1-bromoethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide;8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide
CID 160543290
8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide
CID 123829839
N-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 67194895
5-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-N,N-dimethylfuran-2-sulfonamide
CID 86776822
8-[1-(3-methoxyphenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 89051673
8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid
CID 86672443
8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
CID 58234981
8-[1-(3,5-difluoro-N-methylanilino)ethyl]-6-(4-hydroxypiperidine-1-carbonyl)-2-morpholin-4-ylchromen-4-one
CID 58234970
methyl 8-[2-(3-chloro-2-fluoroanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxylate
CID 67194705

Frequently Asked Questions

What is the IUPAC name of 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide?
The IUPAC name of 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide (CID 164600836) is 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide.
What is the SMILES notation for 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide?
The canonical SMILES for 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide is COC[C@@H]1CN(c2cc(=O)c3cc(C(=O)N(C)C)cc(CN4CCc5c(F)cc(F)cc54)c3o2)CCO1.
What is the InChIKey of 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide?
The InChIKey is JOQOQAMVPOKRLT-IBGZPJMESA-N. The full InChI is InChI=1S/C27H29F2N3O5/c1-30(2)27(34)16-8-17(13-31-5-4-20-22(29)10-18(28)11-23(20)31)26-21(9-16)24(33)12-25(37-26)32-6-7-36-19(14-32)15-35-3/h8-12,19H,4-7,13-15H2,1-3H3/t19-/m0/s1.
What are the key properties of 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide?
8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide has a molecular weight of 513.54 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide is sourced from PubChem (CID 164600836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).