4-(3-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one

C24H18N2O3 — CID 149396423

IUPAC4-(3-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one
SMILESCOc1cccc(N2C(=O)COc3ccc(-c4cnc5ccccc5c4)cc32)c1
InChIInChI=1S/C24H18N2O3/c1-28-20-7-4-6-19(13-20)26-22-12-16(9-10-23(22)29-15-24(26)27)18-11-17-5-2-3-8-21(17)25-14-18/h2-14H,15H2,1H3
InChIKeyYONVDRWHELRNBQ-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.97
Rot. Bonds3

About 4-(3-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one

4-(3-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one (PubChem CID 149396423) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one
PubChem CID149396423
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name4-(3-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one
SMILESCOc1cccc(N2C(=O)COc3ccc(-c4cnc5ccccc5c4)cc32)c1
InChIInChI=1S/C24H18N2O3/c1-28-20-7-4-6-19(13-20)26-22-12-16(9-10-23(22)29-15-24(26)27)18-11-17-5-2-3-8-21(17)25-14-18/h2-14H,15H2,1H3
InChIKeyYONVDRWHELRNBQ-UHFFFAOYSA-N
XLogP4.97
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(3-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one (CID 149396423) is 4-(3-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(3-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one is COc1cccc(N2C(=O)COc3ccc(-c4cnc5ccccc5c4)cc32)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one?
The InChIKey is YONVDRWHELRNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-28-20-7-4-6-19(13-20)26-22-12-16(9-10-23(22)29-15-24(26)27)18-11-17-5-2-3-8-21(17)25-14-18/h2-14H,15H2,1H3.
What are the key properties of 4-(3-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one?
4-(3-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one has a molecular weight of 382.42 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one is sourced from PubChem (CID 149396423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).