7-ethyl-3-[2-(3-methoxyphenyl)ethyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one

C24H27NO4 — CID 4913908

IUPAC7-ethyl-3-[2-(3-methoxyphenyl)ethyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
SMILESCCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1cccc(OC)c1)C3
InChIInChI=1S/C24H27NO4/c1-5-20-15(2)21-12-18-13-25(10-9-17-7-6-8-19(11-17)27-4)14-28-22(18)16(3)23(21)29-24(20)26/h6-8,11-12H,5,9-10,13-14H2,1-4H3
InChIKeyUOMRSUFJZUBFJC-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.38
Rot. Bonds5

About 7-ethyl-3-[2-(3-methoxyphenyl)ethyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one

7-ethyl-3-[2-(3-methoxyphenyl)ethyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one (PubChem CID 4913908) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 7-ethyl-3-[2-(3-methoxyphenyl)ethyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one.

Molecular Properties

Compound Name7-ethyl-3-[2-(3-methoxyphenyl)ethyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
PubChem CID4913908
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name7-ethyl-3-[2-(3-methoxyphenyl)ethyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
SMILESCCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1cccc(OC)c1)C3
InChIInChI=1S/C24H27NO4/c1-5-20-15(2)21-12-18-13-25(10-9-17-7-6-8-19(11-17)27-4)14-28-22(18)16(3)23(21)29-24(20)26/h6-8,11-12H,5,9-10,13-14H2,1-4H3
InChIKeyUOMRSUFJZUBFJC-UHFFFAOYSA-N
XLogP4.38
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-[2-(4-methoxyphenyl)ethyl]-6,10-dimethyl-8-oxo-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-7-yl]acetate
CID 4913899
ethyl 3-[3-[(3-chlorophenyl)methyl]-6,10-dimethyl-8-oxo-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-7-yl]propanoate
CID 23605978
6,7,10-trimethyl-3-(pyridin-3-ylmethyl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 4972479
7-benzyl-3-(furan-2-ylmethyl)-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 23605981
methyl 2-[3-[(3-methoxyphenyl)methyl]-6,10-dimethyl-8-oxo-3,4-dihydro-2H-pyrano[3,2-g][1,3]benzoxazin-3-ium-7-yl]acetate
CID 7274530
3-benzyl-6-chloro-9-[(4-methoxyphenyl)methyl]-4-methyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 2011501
3-[(3-chlorophenyl)methyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 4913845
3-[(2-methoxyphenyl)methyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 4913865
9-[2-(4-methoxyphenyl)ethyl]-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
CID 2047807
7-methyl-10-(2-phenylpropyl)-9,11-dihydroisochromeno[4,3-g][1,3]benzoxazin-5-one
CID 3565157
8-ethyl-2-(4-methoxyphenyl)-5,9-dimethyl-3H-pyrano[3,2-g][1,4]benzoxazin-7-one
CID 155814912
10-[(4-chlorophenyl)methyl]-7-methyl-1,2,3,4,9,11-hexahydroisochromeno[4,3-g][1,3]benzoxazin-5-one
CID 3847450

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-[2-(3-methoxyphenyl)ethyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The IUPAC name of 7-ethyl-3-[2-(3-methoxyphenyl)ethyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one (CID 4913908) is 7-ethyl-3-[2-(3-methoxyphenyl)ethyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one.
What is the SMILES notation for 7-ethyl-3-[2-(3-methoxyphenyl)ethyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The canonical SMILES for 7-ethyl-3-[2-(3-methoxyphenyl)ethyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one is CCc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1cccc(OC)c1)C3.
What is the InChIKey of 7-ethyl-3-[2-(3-methoxyphenyl)ethyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The InChIKey is UOMRSUFJZUBFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-5-20-15(2)21-12-18-13-25(10-9-17-7-6-8-19(11-17)27-4)14-28-22(18)16(3)23(21)29-24(20)26/h6-8,11-12H,5,9-10,13-14H2,1-4H3.
What are the key properties of 7-ethyl-3-[2-(3-methoxyphenyl)ethyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
7-ethyl-3-[2-(3-methoxyphenyl)ethyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one has a molecular weight of 393.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-[2-(3-methoxyphenyl)ethyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one is sourced from PubChem (CID 4913908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).