5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one

C28H26N2O3 — CID 18887724

IUPAC5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one
SMILESCc1ccccc1Nc1oc2c(c1-c1cccc(OC(C)C)c1)c(=O)n(C)c1ccccc21
InChIInChI=1S/C28H26N2O3/c1-17(2)32-20-12-9-11-19(16-20)24-25-26(21-13-6-8-15-23(21)30(4)28(25)31)33-27(24)29-22-14-7-5-10-18(22)3/h5-17,29H,1-4H3
InChIKeyWDDOCFDCPBSHNK-UHFFFAOYSA-N
MW438.53 g/mol
LogP6.79
Rot. Bonds5

About 5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one

5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one (PubChem CID 18887724) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one
PubChem CID18887724
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC Name5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one
SMILESCc1ccccc1Nc1oc2c(c1-c1cccc(OC(C)C)c1)c(=O)n(C)c1ccccc21
InChIInChI=1S/C28H26N2O3/c1-17(2)32-20-12-9-11-19(16-20)24-25-26(21-13-6-8-15-23(21)30(4)28(25)31)33-27(24)29-22-14-7-5-10-18(22)3/h5-17,29H,1-4H3
InChIKeyWDDOCFDCPBSHNK-UHFFFAOYSA-N
XLogP6.79
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one?
The IUPAC name of 5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one (CID 18887724) is 5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one.
What is the SMILES notation for 5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one?
The canonical SMILES for 5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one is Cc1ccccc1Nc1oc2c(c1-c1cccc(OC(C)C)c1)c(=O)n(C)c1ccccc21.
What is the InChIKey of 5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one?
The InChIKey is WDDOCFDCPBSHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c1-17(2)32-20-12-9-11-19(16-20)24-25-26(21-13-6-8-15-23(21)30(4)28(25)31)33-27(24)29-22-14-7-5-10-18(22)3/h5-17,29H,1-4H3.
What are the key properties of 5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one?
5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one has a molecular weight of 438.53 g/mol, XLogP of 6.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one is sourced from PubChem (CID 18887724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).