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

C27H24N2O2 — CID 18887677

IUPAC2-anilino-5-methyl-3-(4-propan-2-ylphenyl)furo[3,2-c]quinolin-4-one
SMILESCC(C)c1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)n(C)c2ccccc32)cc1
InChIInChI=1S/C27H24N2O2/c1-17(2)18-13-15-19(16-14-18)23-24-25(31-26(23)28-20-9-5-4-6-10-20)21-11-7-8-12-22(21)29(3)27(24)30/h4-17,28H,1-3H3
InChIKeyPDCKYQVPEUQMJI-UHFFFAOYSA-N
MW408.50 g/mol
LogP6.82
Rot. Bonds4

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

2-anilino-5-methyl-3-(4-propan-2-ylphenyl)furo[3,2-c]quinolin-4-one (PubChem CID 18887677) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-anilino-5-methyl-3-(4-propan-2-ylphenyl)furo[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name2-anilino-5-methyl-3-(4-propan-2-ylphenyl)furo[3,2-c]quinolin-4-one
PubChem CID18887677
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name2-anilino-5-methyl-3-(4-propan-2-ylphenyl)furo[3,2-c]quinolin-4-one
SMILESCC(C)c1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)n(C)c2ccccc32)cc1
InChIInChI=1S/C27H24N2O2/c1-17(2)18-13-15-19(16-14-18)23-24-25(31-26(23)28-20-9-5-4-6-10-20)21-11-7-8-12-22(21)29(3)27(24)30/h4-17,28H,1-3H3
InChIKeyPDCKYQVPEUQMJI-UHFFFAOYSA-N
XLogP6.82
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-3-(4-bromophenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887690
2-anilino-3-(3,4-dichlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887688
2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887696
2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887774
3-(3,4-dichlorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one
CID 18887715
3-(4-methoxyphenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one
CID 18887725
5-methyl-2-(2-methylanilino)-3-(3-propan-2-yloxyphenyl)furo[3,2-c]quinolin-4-one
CID 18887724
3-(3-fluorophenyl)-5-methyl-2-(2-methylanilino)furo[3,2-c]quinolin-4-one
CID 18887708
5-methyl-2-(2-methylanilino)-3-(3-nitrophenyl)furo[3,2-c]quinolin-4-one
CID 18887719
2-anilino-3-(4-fluorophenyl)furo[3,2-c]chromen-4-one
CID 18887562
3-(4-fluoroanilino)-1-methyl-4-phenylquinolin-2-one
CID 45123270
3-(4-bromophenyl)-2-(2,4-dimethylanilino)-5-ethylfuro[3,2-c]quinolin-4-one
CID 18887867

Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-methyl-3-(4-propan-2-ylphenyl)furo[3,2-c]quinolin-4-one?
The IUPAC name of 2-anilino-5-methyl-3-(4-propan-2-ylphenyl)furo[3,2-c]quinolin-4-one (CID 18887677) is 2-anilino-5-methyl-3-(4-propan-2-ylphenyl)furo[3,2-c]quinolin-4-one.
What is the SMILES notation for 2-anilino-5-methyl-3-(4-propan-2-ylphenyl)furo[3,2-c]quinolin-4-one?
The canonical SMILES for 2-anilino-5-methyl-3-(4-propan-2-ylphenyl)furo[3,2-c]quinolin-4-one is CC(C)c1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)n(C)c2ccccc32)cc1.
What is the InChIKey of 2-anilino-5-methyl-3-(4-propan-2-ylphenyl)furo[3,2-c]quinolin-4-one?
The InChIKey is PDCKYQVPEUQMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-17(2)18-13-15-19(16-14-18)23-24-25(31-26(23)28-20-9-5-4-6-10-20)21-11-7-8-12-22(21)29(3)27(24)30/h4-17,28H,1-3H3.
What are the key properties of 2-anilino-5-methyl-3-(4-propan-2-ylphenyl)furo[3,2-c]quinolin-4-one?
2-anilino-5-methyl-3-(4-propan-2-ylphenyl)furo[3,2-c]quinolin-4-one has a molecular weight of 408.50 g/mol, XLogP of 6.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-methyl-3-(4-propan-2-ylphenyl)furo[3,2-c]quinolin-4-one is sourced from PubChem (CID 18887677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).