7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N,N-dimethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-amine

C24H29N5O3 — CID 66571468

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N,N-dimethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(N(C)C)n(CC3CCOCC3)c12
InChIInChI=1S/C24H29N5O3/c1-14-22(15(2)32-27-14)18-10-19-17(11-21(18)30-5)23-20(12-25-19)26-24(28(3)4)29(23)13-16-6-8-31-9-7-16/h10-12,16H,6-9,13H2,1-5H3
InChIKeyHCEZPGCCFZDDQO-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.36
Rot. Bonds5

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N,N-dimethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-amine

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N,N-dimethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-amine (PubChem CID 66571468) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N,N-dimethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-amine.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N,N-dimethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-amine
PubChem CID66571468
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N,N-dimethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(N(C)C)n(CC3CCOCC3)c12
InChIInChI=1S/C24H29N5O3/c1-14-22(15(2)32-27-14)18-10-19-17(11-21(18)30-5)23-20(12-25-19)26-24(28(3)4)29(23)13-16-6-8-31-9-7-16/h10-12,16H,6-9,13H2,1-5H3
InChIKeyHCEZPGCCFZDDQO-UHFFFAOYSA-N
XLogP4.36
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N,N-dimethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-amine?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N,N-dimethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-amine (CID 66571468) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N,N-dimethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-amine.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N,N-dimethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-amine?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N,N-dimethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-amine is COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(N(C)C)n(CC3CCOCC3)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N,N-dimethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-amine?
The InChIKey is HCEZPGCCFZDDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-14-22(15(2)32-27-14)18-10-19-17(11-21(18)30-5)23-20(12-25-19)26-24(28(3)4)29(23)13-16-6-8-31-9-7-16/h10-12,16H,6-9,13H2,1-5H3.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N,N-dimethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-amine?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N,N-dimethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-amine has a molecular weight of 435.53 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-N,N-dimethyl-1-(oxan-4-ylmethyl)imidazo[4,5-c]quinolin-2-amine is sourced from PubChem (CID 66571468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).