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

C24H30N6O3 — CID 123553196

IUPAC1-[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
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C(N)CN)n(CC3CCOCC3)c12
InChIInChI=1S/C24H30N6O3/c1-13-22(14(2)33-29-13)17-8-19-16(9-21(17)31-3)23-20(11-27-19)28-24(18(26)10-25)30(23)12-15-4-6-32-7-5-15/h8-9,11,15,18H,4-7,10,12,25-26H2,1-3H3
InChIKeyGKESIHGDMHOASV-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.25
Rot. Bonds6

About 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

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 (PubChem CID 123553196) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID123553196
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name1-[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
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C(N)CN)n(CC3CCOCC3)c12
InChIInChI=1S/C24H30N6O3/c1-13-22(14(2)33-29-13)17-8-19-16(9-21(17)31-3)23-20(11-27-19)28-24(18(26)10-25)30(23)12-15-4-6-32-7-5-15/h8-9,11,15,18H,4-7,10,12,25-26H2,1-3H3
InChIKeyGKESIHGDMHOASV-UHFFFAOYSA-N
XLogP3.25
TPSA127.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

[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
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-[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
1-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 164609567
4-[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-8-methoxy-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 70664300
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
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
1-(cyclohexylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-3H-imidazo[4,5-c]quinolin-2-one
CID 52935407
4-[2-cyclopentyl-1-[2-(difluoromethoxy)ethyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 166751554
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
CID 164623489
4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 70663944
3-[1-[(4-chlorophenyl)methyl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]propanenitrile
CID 70664019

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C(N)CN)n(CC3CCOCC3)c12.
What is the InChIKey of 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?
The InChIKey is GKESIHGDMHOASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-13-22(14(2)33-29-13)17-8-19-16(9-21(17)31-3)23-20(11-27-19)28-24(18(26)10-25)30(23)12-15-4-6-32-7-5-15/h8-9,11,15,18H,4-7,10,12,25-26H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 450.54 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123553196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).