9-(4-methoxyphenyl)-6-propoxy-7-(2,2,4,4-tetramethylpentan-3-yl)-2,3-dihydro-1H-pyrano[3,2-f]quinolin-10-one

C31H41NO4 — CID 123901009

IUPAC9-(4-methoxyphenyl)-6-propoxy-7-(2,2,4,4-tetramethylpentan-3-yl)-2,3-dihydro-1H-pyrano[3,2-f]quinolin-10-one
SMILESCCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)cn(C(C(C)(C)C)C(C)(C)C)c13)CCCO2
InChIInChI=1S/C31H41NO4/c1-9-16-35-25-18-24-22(11-10-17-36-24)26-27(25)32(29(30(2,3)4)31(5,6)7)19-23(28(26)33)20-12-14-21(34-8)15-13-20/h12-15,18-19,29H,9-11,16-17H2,1-8H3
InChIKeyLRDLNNLOVWRIRK-UHFFFAOYSA-N
MW491.67 g/mol
LogP7.42
Rot. Bonds6

About 9-(4-methoxyphenyl)-6-propoxy-7-(2,2,4,4-tetramethylpentan-3-yl)-2,3-dihydro-1H-pyrano[3,2-f]quinolin-10-one

9-(4-methoxyphenyl)-6-propoxy-7-(2,2,4,4-tetramethylpentan-3-yl)-2,3-dihydro-1H-pyrano[3,2-f]quinolin-10-one (PubChem CID 123901009) has the molecular formula C31H41NO4 and a molecular weight of 491.67 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)-6-propoxy-7-(2,2,4,4-tetramethylpentan-3-yl)-2,3-dihydro-1H-pyrano[3,2-f]quinolin-10-one.

Molecular Properties

Compound Name9-(4-methoxyphenyl)-6-propoxy-7-(2,2,4,4-tetramethylpentan-3-yl)-2,3-dihydro-1H-pyrano[3,2-f]quinolin-10-one
PubChem CID123901009
Molecular FormulaC31H41NO4
Molecular Weight491.67 g/mol
Exact Mass491.30
IUPAC Name9-(4-methoxyphenyl)-6-propoxy-7-(2,2,4,4-tetramethylpentan-3-yl)-2,3-dihydro-1H-pyrano[3,2-f]quinolin-10-one
SMILESCCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)cn(C(C(C)(C)C)C(C)(C)C)c13)CCCO2
InChIInChI=1S/C31H41NO4/c1-9-16-35-25-18-24-22(11-10-17-36-24)26-27(25)32(29(30(2,3)4)31(5,6)7)19-23(28(26)33)20-12-14-21(34-8)15-13-20/h12-15,18-19,29H,9-11,16-17H2,1-8H3
InChIKeyLRDLNNLOVWRIRK-UHFFFAOYSA-N
XLogP7.42
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.67
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxyphenyl)-6-propoxy-7-(2,2,4,4-tetramethylpentan-3-yl)-2,3-dihydro-1H-pyrano[3,2-f]quinolin-10-one?
The IUPAC name of 9-(4-methoxyphenyl)-6-propoxy-7-(2,2,4,4-tetramethylpentan-3-yl)-2,3-dihydro-1H-pyrano[3,2-f]quinolin-10-one (CID 123901009) is 9-(4-methoxyphenyl)-6-propoxy-7-(2,2,4,4-tetramethylpentan-3-yl)-2,3-dihydro-1H-pyrano[3,2-f]quinolin-10-one.
What is the SMILES notation for 9-(4-methoxyphenyl)-6-propoxy-7-(2,2,4,4-tetramethylpentan-3-yl)-2,3-dihydro-1H-pyrano[3,2-f]quinolin-10-one?
The canonical SMILES for 9-(4-methoxyphenyl)-6-propoxy-7-(2,2,4,4-tetramethylpentan-3-yl)-2,3-dihydro-1H-pyrano[3,2-f]quinolin-10-one is CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)cn(C(C(C)(C)C)C(C)(C)C)c13)CCCO2.
What is the InChIKey of 9-(4-methoxyphenyl)-6-propoxy-7-(2,2,4,4-tetramethylpentan-3-yl)-2,3-dihydro-1H-pyrano[3,2-f]quinolin-10-one?
The InChIKey is LRDLNNLOVWRIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41NO4/c1-9-16-35-25-18-24-22(11-10-17-36-24)26-27(25)32(29(30(2,3)4)31(5,6)7)19-23(28(26)33)20-12-14-21(34-8)15-13-20/h12-15,18-19,29H,9-11,16-17H2,1-8H3.
What are the key properties of 9-(4-methoxyphenyl)-6-propoxy-7-(2,2,4,4-tetramethylpentan-3-yl)-2,3-dihydro-1H-pyrano[3,2-f]quinolin-10-one?
9-(4-methoxyphenyl)-6-propoxy-7-(2,2,4,4-tetramethylpentan-3-yl)-2,3-dihydro-1H-pyrano[3,2-f]quinolin-10-one has a molecular weight of 491.67 g/mol, XLogP of 7.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)-6-propoxy-7-(2,2,4,4-tetramethylpentan-3-yl)-2,3-dihydro-1H-pyrano[3,2-f]quinolin-10-one is sourced from PubChem (CID 123901009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).