2-[2-(4-chloro-5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one

C19H24ClFN4O3 — CID 77462142

IUPAC2-[2-(4-chloro-5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESCC1Cc2c(ccc(F)c2Cl)N1C(=O)CC1NC(=O)CC(N2CCOCC2)N1
InChIInChI=1S/C19H24ClFN4O3/c1-11-8-12-14(3-2-13(21)19(12)20)25(11)18(27)9-15-22-16(10-17(26)23-15)24-4-6-28-7-5-24/h2-3,11,15-16,22H,4-10H2,1H3,(H,23,26)
InChIKeyWTMQZHBTBXLVLK-UHFFFAOYSA-N
MW410.88 g/mol
LogP1.24
Rot. Bonds3

About 2-[2-(4-chloro-5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one

2-[2-(4-chloro-5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (PubChem CID 77462142) has the molecular formula C19H24ClFN4O3 and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-[2-(4-chloro-5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-[2-(4-chloro-5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
PubChem CID77462142
Molecular FormulaC19H24ClFN4O3
Molecular Weight410.88 g/mol
Exact Mass410.15
IUPAC Name2-[2-(4-chloro-5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one
SMILESCC1Cc2c(ccc(F)c2Cl)N1C(=O)CC1NC(=O)CC(N2CCOCC2)N1
InChIInChI=1S/C19H24ClFN4O3/c1-11-8-12-14(3-2-13(21)19(12)20)25(11)18(27)9-15-22-16(10-17(26)23-15)24-4-6-28-7-5-24/h2-3,11,15-16,22H,4-10H2,1H3,(H,23,26)
InChIKeyWTMQZHBTBXLVLK-UHFFFAOYSA-N
XLogP1.24
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The IUPAC name of 2-[2-(4-chloro-5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one (CID 77462142) is 2-[2-(4-chloro-5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one.
What is the SMILES notation for 2-[2-(4-chloro-5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The canonical SMILES for 2-[2-(4-chloro-5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is CC1Cc2c(ccc(F)c2Cl)N1C(=O)CC1NC(=O)CC(N2CCOCC2)N1.
What is the InChIKey of 2-[2-(4-chloro-5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
The InChIKey is WTMQZHBTBXLVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN4O3/c1-11-8-12-14(3-2-13(21)19(12)20)25(11)18(27)9-15-22-16(10-17(26)23-15)24-4-6-28-7-5-24/h2-3,11,15-16,22H,4-10H2,1H3,(H,23,26).
What are the key properties of 2-[2-(4-chloro-5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one?
2-[2-(4-chloro-5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one has a molecular weight of 410.88 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-5-fluoro-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-1,3-diazinan-4-one is sourced from PubChem (CID 77462142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).