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

C24H18N2O3 — CID 147206876

IUPAC4-(4-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one
SMILESCOc1ccc(N2C(=O)COc3ccc(-c4cnc5ccccc5c4)cc32)cc1
InChIInChI=1S/C24H18N2O3/c1-28-20-9-7-19(8-10-20)26-22-13-16(6-11-23(22)29-15-24(26)27)18-12-17-4-2-3-5-21(17)25-14-18/h2-14H,15H2,1H3
InChIKeyCELFRCHPJSSCQD-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.97
Rot. Bonds3

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

4-(4-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one (PubChem CID 147206876) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one
PubChem CID147206876
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name4-(4-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one
SMILESCOc1ccc(N2C(=O)COc3ccc(-c4cnc5ccccc5c4)cc32)cc1
InChIInChI=1S/C24H18N2O3/c1-28-20-9-7-19(8-10-20)26-22-13-16(6-11-23(22)29-15-24(26)27)18-12-17-4-2-3-5-21(17)25-14-18/h2-14H,15H2,1H3
InChIKeyCELFRCHPJSSCQD-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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Related Compounds

6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 9909089
SB-649,915
CID 10296414
(R)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(quinolin-8-yloxy)acetamide
CID 90241758
4-Methyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 9979309
6-[2-[4-(2,7-dimethylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10001971
4-Ethyl-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 10048342
6-[4-[4-(2-methylquinolin-5-yl)piperazin-1-yl]butyl]-4H-1,4-benzoxazin-3-one
CID 10048343
6-[2-[4-(2-phenylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10073139
4-Methyl-6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-1,4-benzoxazin-3-one
CID 10114480
6-[[1-[2-(2-Methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-4-propan-2-yl-1,4-benzoxazin-3-one
CID 10183895
6-{2-[3-methyl-4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
CID 10319737
4-Ethyl-6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-1,4-benzoxazin-3-one
CID 22326688

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(4-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one (CID 147206876) is 4-(4-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(4-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one is COc1ccc(N2C(=O)COc3ccc(-c4cnc5ccccc5c4)cc32)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one?
The InChIKey is CELFRCHPJSSCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-28-20-9-7-19(8-10-20)26-22-13-16(6-11-23(22)29-15-24(26)27)18-12-17-4-2-3-5-21(17)25-14-18/h2-14H,15H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one?
4-(4-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-(4-methoxyphenyl)-6-quinolin-3-yl-1,4-benzoxazin-3-one is sourced from PubChem (CID 147206876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).