3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one

C33H22ClN3O3 — CID 177406526

IUPAC3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one
SMILESCn1c(=O)c2c(Nc3c(-c4ccc(Cl)cc4)noc3-c3ccccc3)c(-c3ccccc3)oc2c2ccccc21
InChIInChI=1S/C33H22ClN3O3/c1-37-25-15-9-8-14-24(25)32-26(33(37)38)28(30(39-32)21-10-4-2-5-11-21)35-29-27(20-16-18-23(34)19-17-20)36-40-31(29)22-12-6-3-7-13-22/h2-19,35H,1H3
InChIKeyBJNNSBNBRUNNMV-UHFFFAOYSA-N
MW544.01 g/mol
LogP8.67
Rot. Bonds5

About 3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one

3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one (PubChem CID 177406526) has the molecular formula C33H22ClN3O3 and a molecular weight of 544.01 g/mol. Its IUPAC name is 3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one.

Molecular Properties

Compound Name3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one
PubChem CID177406526
Molecular FormulaC33H22ClN3O3
Molecular Weight544.01 g/mol
Exact Mass543.13
IUPAC Name3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one
SMILESCn1c(=O)c2c(Nc3c(-c4ccc(Cl)cc4)noc3-c3ccccc3)c(-c3ccccc3)oc2c2ccccc21
InChIInChI=1S/C33H22ClN3O3/c1-37-25-15-9-8-14-24(25)32-26(33(37)38)28(30(39-32)21-10-4-2-5-11-21)35-29-27(20-16-18-23(34)19-17-20)36-40-31(29)22-12-6-3-7-13-22/h2-19,35H,1H3
InChIKeyBJNNSBNBRUNNMV-UHFFFAOYSA-N
XLogP8.67
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.01
LogP ≤ 58.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one?
The IUPAC name of 3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one (CID 177406526) is 3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one.
What is the SMILES notation for 3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one?
The canonical SMILES for 3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one is Cn1c(=O)c2c(Nc3c(-c4ccc(Cl)cc4)noc3-c3ccccc3)c(-c3ccccc3)oc2c2ccccc21.
What is the InChIKey of 3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one?
The InChIKey is BJNNSBNBRUNNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22ClN3O3/c1-37-25-15-9-8-14-24(25)32-26(33(37)38)28(30(39-32)21-10-4-2-5-11-21)35-29-27(20-16-18-23(34)19-17-20)36-40-31(29)22-12-6-3-7-13-22/h2-19,35H,1H3.
What are the key properties of 3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one?
3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one has a molecular weight of 544.01 g/mol, XLogP of 8.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-chlorophenyl)-5-phenyl-1,2-oxazol-4-yl]amino]-5-methyl-2-phenylfuro[3,2-c]quinolin-4-one is sourced from PubChem (CID 177406526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).