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

C28H29F2N3O5 — CID 164600704

IUPAC8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-N-(oxan-4-yl)-4-oxochromene-6-carboxamide
SMILESO=C(NC1CCOCC1)c1cc(CN2CCc3c(F)cc(F)cc32)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C28H29F2N3O5/c29-19-13-23(30)21-1-4-33(24(21)14-19)16-18-11-17(28(35)31-20-2-7-36-8-3-20)12-22-25(34)15-26(38-27(18)22)32-5-9-37-10-6-32/h11-15,20H,1-10,16H2,(H,31,35)
InChIKeyPHJJJNUSSZPDLT-UHFFFAOYSA-N
MW525.55 g/mol
LogP3.38
Rot. Bonds5

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

8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-N-(oxan-4-yl)-4-oxochromene-6-carboxamide (PubChem CID 164600704) has the molecular formula C28H29F2N3O5 and a molecular weight of 525.55 g/mol. Its IUPAC name is 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-N-(oxan-4-yl)-4-oxochromene-6-carboxamide.

Molecular Properties

Compound Name8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-N-(oxan-4-yl)-4-oxochromene-6-carboxamide
PubChem CID164600704
Molecular FormulaC28H29F2N3O5
Molecular Weight525.55 g/mol
Exact Mass525.21
IUPAC Name8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-N-(oxan-4-yl)-4-oxochromene-6-carboxamide
SMILESO=C(NC1CCOCC1)c1cc(CN2CCc3c(F)cc(F)cc32)c2oc(N3CCOCC3)cc(=O)c2c1
InChIInChI=1S/C28H29F2N3O5/c29-19-13-23(30)21-1-4-33(24(21)14-19)16-18-11-17(28(35)31-20-2-7-36-8-3-20)12-22-25(34)15-26(38-27(18)22)32-5-9-37-10-6-32/h11-15,20H,1-10,16H2,(H,31,35)
InChIKeyPHJJJNUSSZPDLT-UHFFFAOYSA-N
XLogP3.38
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

Azd-8186
CID 52913813
8-[(1R)-1-(3-chloro-5-fluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 67103712
8-[(1R)-1-(3,5-difluoroanilino)ethyl]-N,N-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide
CID 67103909
Pik-108
CID 54751698
8-(1-(3-fluoro-5-methylphenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide
CID 52913592
8-(1-(3-chloro-4-fluorophenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide
CID 52913931
8-(1-(2,5-difluorophenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide
CID 58234990
8-[1-(3,5-Difluoroanilino)ethyl]-6-(4-hydroxypiperidine-1-carbonyl)-2-morpholin-4-ylchromen-4-one
CID 58234995
8-[1-(3,5-Difluoroanilino)ethyl]-2-morpholin-4-yl-6-(piperidine-1-carbonyl)chromen-4-one
CID 58235016
8-[1-(3,5-difluoroanilino)ethyl]-N-ethyl-N-methyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 58235018
8-(1-(3-fluoro-5-methoxyphenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide
CID 58235020
8-[1-(2,3-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 58235030

Frequently Asked Questions

What is the IUPAC name of 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-N-(oxan-4-yl)-4-oxochromene-6-carboxamide?
The IUPAC name of 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-N-(oxan-4-yl)-4-oxochromene-6-carboxamide (CID 164600704) is 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-N-(oxan-4-yl)-4-oxochromene-6-carboxamide.
What is the SMILES notation for 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-N-(oxan-4-yl)-4-oxochromene-6-carboxamide?
The canonical SMILES for 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-N-(oxan-4-yl)-4-oxochromene-6-carboxamide is O=C(NC1CCOCC1)c1cc(CN2CCc3c(F)cc(F)cc32)c2oc(N3CCOCC3)cc(=O)c2c1.
What is the InChIKey of 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-N-(oxan-4-yl)-4-oxochromene-6-carboxamide?
The InChIKey is PHJJJNUSSZPDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N3O5/c29-19-13-23(30)21-1-4-33(24(21)14-19)16-18-11-17(28(35)31-20-2-7-36-8-3-20)12-22-25(34)15-26(38-27(18)22)32-5-9-37-10-6-32/h11-15,20H,1-10,16H2,(H,31,35).
What are the key properties of 8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-N-(oxan-4-yl)-4-oxochromene-6-carboxamide?
8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-morpholin-4-yl-N-(oxan-4-yl)-4-oxochromene-6-carboxamide has a molecular weight of 525.55 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 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-morpholin-4-yl-N-(oxan-4-yl)-4-oxochromene-6-carboxamide is sourced from PubChem (CID 164600704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).