2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one

C18H12N2O3 — CID 10870421

IUPAC2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one
SMILESCOc1ccc(-c2nc3c(ccc4ncccc43)c(=O)o2)cc1
InChIInChI=1S/C18H12N2O3/c1-22-12-6-4-11(5-7-12)17-20-16-13-3-2-10-19-15(13)9-8-14(16)18(21)23-17/h2-10H,1H3
InChIKeyCEDVAAQCVKSBRV-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.41
Rot. Bonds2

About 2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one

2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one (PubChem CID 10870421) has the molecular formula C18H12N2O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one
PubChem CID10870421
Molecular FormulaC18H12N2O3
Molecular Weight304.31 g/mol
Exact Mass304.08
IUPAC Name2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one
SMILESCOc1ccc(-c2nc3c(ccc4ncccc43)c(=O)o2)cc1
InChIInChI=1S/C18H12N2O3/c1-22-12-6-4-11(5-7-12)17-20-16-13-3-2-10-19-15(13)9-8-14(16)18(21)23-17/h2-10H,1H3
InChIKeyCEDVAAQCVKSBRV-UHFFFAOYSA-N
XLogP3.41
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(4-methoxyphenyl)-3,1-benzoxazin-4-one
CID 742622
6-chloro-2-(4-methoxyphenyl)-3,1-benzoxazin-4-one
CID 2191162
2-(4-chlorophenyl)-6-methoxy-3,1-benzoxazin-4-one
CID 71330911
2-(4-bromophenyl)-6-methoxy-3,1-benzoxazin-4-one
CID 21082436
2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one
CID 11133653
2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one
CID 90967896
2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
CID 134912266
2-[4-[4-(6,7-dimethoxy-4-oxo-3,1-benzoxazin-2-yl)phenoxy]phenyl]-6,7-dimethoxy-3,1-benzoxazin-4-one
CID 4125069
CID 68568728
CID 68568728
2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline
CID 21304154
5-(4-methoxyphenoxy)quinoline
CID 122457274
7-chloro-5-(4-methoxyphenyl)-1,6-naphthyridine
CID 102291117

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one (CID 10870421) is 2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one is COc1ccc(-c2nc3c(ccc4ncccc43)c(=O)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one?
The InChIKey is CEDVAAQCVKSBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c1-22-12-6-4-11(5-7-12)17-20-16-13-3-2-10-19-15(13)9-8-14(16)18(21)23-17/h2-10H,1H3.
What are the key properties of 2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one?
2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one has a molecular weight of 304.31 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)pyrido[2,3-h][3,1]benzoxazin-4-one is sourced from PubChem (CID 10870421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).