ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate

C30H28N4O5 — CID 86267360

IUPACethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate
SMILESCCOC(=O)CC1(c2ccc(-n3c(=O)n(C)c4cnc5ccc(-c6ccc(OC)nc6)cc5c43)cc2)COC1
InChIInChI=1S/C30H28N4O5/c1-4-39-27(35)14-30(17-38-18-30)21-7-9-22(10-8-21)34-28-23-13-19(20-6-12-26(37-3)32-15-20)5-11-24(23)31-16-25(28)33(2)29(34)36/h5-13,15-16H,4,14,17-18H2,1-3H3
InChIKeyCATNWGJJPWESIK-UHFFFAOYSA-N
MW524.58 g/mol
LogP4.17
Rot. Bonds7

About ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate

ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate (PubChem CID 86267360) has the molecular formula C30H28N4O5 and a molecular weight of 524.58 g/mol. Its IUPAC name is ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate
PubChem CID86267360
Molecular FormulaC30H28N4O5
Molecular Weight524.58 g/mol
Exact Mass524.21
IUPAC Nameethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate
SMILESCCOC(=O)CC1(c2ccc(-n3c(=O)n(C)c4cnc5ccc(-c6ccc(OC)nc6)cc5c43)cc2)COC1
InChIInChI=1S/C30H28N4O5/c1-4-39-27(35)14-30(17-38-18-30)21-7-9-22(10-8-21)34-28-23-13-19(20-6-12-26(37-3)32-15-20)5-11-24(23)31-16-25(28)33(2)29(34)36/h5-13,15-16H,4,14,17-18H2,1-3H3
InChIKeyCATNWGJJPWESIK-UHFFFAOYSA-N
XLogP4.17
TPSA97.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.58
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate?
The IUPAC name of ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate (CID 86267360) is ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate?
The canonical SMILES for ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate is CCOC(=O)CC1(c2ccc(-n3c(=O)n(C)c4cnc5ccc(-c6ccc(OC)nc6)cc5c43)cc2)COC1.
What is the InChIKey of ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate?
The InChIKey is CATNWGJJPWESIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O5/c1-4-39-27(35)14-30(17-38-18-30)21-7-9-22(10-8-21)34-28-23-13-19(20-6-12-26(37-3)32-15-20)5-11-24(23)31-16-25(28)33(2)29(34)36/h5-13,15-16H,4,14,17-18H2,1-3H3.
What are the key properties of ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate?
ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate has a molecular weight of 524.58 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]oxetan-3-yl]acetate is sourced from PubChem (CID 86267360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).