7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one

C24H26N4O3 — CID 167300301

IUPAC7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one
SMILESCC1CN(c2ccc3cc(Nc4ccc5c(c4)OCC(=O)N5C)ccc3n2)CC(C)O1
InChIInChI=1S/C24H26N4O3/c1-15-12-28(13-16(2)31-15)23-9-4-17-10-18(5-7-20(17)26-23)25-19-6-8-21-22(11-19)30-14-24(29)27(21)3/h4-11,15-16,25H,12-14H2,1-3H3
InChIKeyNBJJISBTAUDSEK-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.95
Rot. Bonds3

About 7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one

7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 167300301) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one
PubChem CID167300301
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one
SMILESCC1CN(c2ccc3cc(Nc4ccc5c(c4)OCC(=O)N5C)ccc3n2)CC(C)O1
InChIInChI=1S/C24H26N4O3/c1-15-12-28(13-16(2)31-15)23-9-4-17-10-18(5-7-20(17)26-23)25-19-6-8-21-22(11-19)30-14-24(29)27(21)3/h4-11,15-16,25H,12-14H2,1-3H3
InChIKeyNBJJISBTAUDSEK-UHFFFAOYSA-N
XLogP3.95
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one (CID 167300301) is 7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one is CC1CN(c2ccc3cc(Nc4ccc5c(c4)OCC(=O)N5C)ccc3n2)CC(C)O1.
What is the InChIKey of 7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is NBJJISBTAUDSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-15-12-28(13-16(2)31-15)23-9-4-17-10-18(5-7-20(17)26-23)25-19-6-8-21-22(11-19)30-14-24(29)27(21)3/h4-11,15-16,25H,12-14H2,1-3H3.
What are the key properties of 7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one?
7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 418.50 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(2,6-dimethylmorpholin-4-yl)quinolin-6-yl]amino]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 167300301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).