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

C28H29N5O3 — CID 70663935

IUPAC4-[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
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n([C@H](C)c3ccccn3)c12
InChIInChI=1S/C28H29N5O3/c1-16-26(18(3)36-32-16)21-13-23-20(14-25(21)34-4)27-24(15-30-23)31-28(19-8-11-35-12-9-19)33(27)17(2)22-7-5-6-10-29-22/h5-7,10,13-15,17,19H,8-9,11-12H2,1-4H3/t17-/m1/s1
InChIKeyVOCVTYMPCLADFN-QGZVFWFLSA-N
MW483.57 g/mol
LogP5.76
Rot. Bonds5

About 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

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 (PubChem CID 70663935) has the molecular formula C28H29N5O3 and a molecular weight of 483.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID70663935
Molecular FormulaC28H29N5O3
Molecular Weight483.57 g/mol
Exact Mass483.23
IUPAC Name4-[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
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n([C@H](C)c3ccccn3)c12
InChIInChI=1S/C28H29N5O3/c1-16-26(18(3)36-32-16)21-13-23-20(14-25(21)34-4)27-24(15-30-23)31-28(19-8-11-35-12-9-19)33(27)17(2)22-7-5-6-10-29-22/h5-7,10,13-15,17,19H,8-9,11-12H2,1-4H3/t17-/m1/s1
InChIKeyVOCVTYMPCLADFN-QGZVFWFLSA-N
XLogP5.76
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n([C@H](C)c3ccccn3)c12.
What is the InChIKey of 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?
The InChIKey is VOCVTYMPCLADFN-QGZVFWFLSA-N. The full InChI is InChI=1S/C28H29N5O3/c1-16-26(18(3)36-32-16)21-13-23-20(14-25(21)34-4)27-24(15-30-23)31-28(19-8-11-35-12-9-19)33(27)17(2)22-7-5-6-10-29-22/h5-7,10,13-15,17,19H,8-9,11-12H2,1-4H3/t17-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 483.57 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70663935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).