4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine

C24H29N5O4 — CID 164621563

IUPAC4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine
SMILESCOC[C@@H](C)n1c(N2CCOCC2)nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c21
InChIInChI=1S/C24H29N5O4/c1-14(13-30-4)29-23-17-11-21(31-5)18(22-15(2)27-33-16(22)3)10-19(17)25-12-20(23)26-24(29)28-6-8-32-9-7-28/h10-12,14H,6-9,13H2,1-5H3/t14-/m1/s1
InChIKeyPCXQSNMTOVVSHU-CQSZACIVSA-N
MW451.53 g/mol
LogP3.91
Rot. Bonds6

About 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine

4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine (PubChem CID 164621563) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine
PubChem CID164621563
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine
SMILESCOC[C@@H](C)n1c(N2CCOCC2)nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c21
InChIInChI=1S/C24H29N5O4/c1-14(13-30-4)29-23-17-11-21(31-5)18(22-15(2)27-33-16(22)3)10-19(17)25-12-20(23)26-24(29)28-6-8-32-9-7-28/h10-12,14H,6-9,13H2,1-5H3/t14-/m1/s1
InChIKeyPCXQSNMTOVVSHU-CQSZACIVSA-N
XLogP3.91
TPSA87.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine with MolForge

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Related Compounds

4-[8-methoxy-1-[(2R)-1-methoxypropan-2-yl]-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 71259053
3-[2-[2-[2-[2-[2-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-methoxypropan-2-yl)-2-(oxan-4-yl)imidazo[4,5-c]quinolin-8-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 166694400
4-[8-methoxy-2-(oxan-4-yl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 70663935
3-[2-[2-[2-[2-[2-[4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(1-methoxypropan-2-yl)imidazo[4,5-c]quinolin-2-yl]piperidin-1-yl]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 166694336
ethane;4-[8-methoxy-1-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 144547349
4-[[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]methyl]morpholine
CID 134169088
4-[2,8-dimethoxy-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 122705179
1-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]ethane-1,2-diamine
CID 123553196
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3-(2-methoxyethyl)-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
CID 123985108
7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-4-[[(2R)-1-methoxypropan-2-yl]amino]quinoline-3-carboxylic acid
CID 90222565
[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-yl]-phenylmethanone
CID 86295487
4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 166751554

Frequently Asked Questions

What is the IUPAC name of 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine?
The IUPAC name of 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine (CID 164621563) is 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine.
What is the SMILES notation for 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine?
The canonical SMILES for 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine is COC[C@@H](C)n1c(N2CCOCC2)nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c21.
What is the InChIKey of 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine?
The InChIKey is PCXQSNMTOVVSHU-CQSZACIVSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-14(13-30-4)29-23-17-11-21(31-5)18(22-15(2)27-33-16(22)3)10-19(17)25-12-20(23)26-24(29)28-6-8-32-9-7-28/h10-12,14H,6-9,13H2,1-5H3/t14-/m1/s1.
What are the key properties of 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine?
4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine has a molecular weight of 451.53 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-[(2R)-1-methoxypropan-2-yl]imidazo[4,5-c]quinolin-2-yl]morpholine is sourced from PubChem (CID 164621563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).