8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one

C27H29N5O3 — CID 145161829

IUPAC8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCC1C=C(c2cc3c(cc2OC)ncc2c3n(-c3c(C)cncc3OC)c(=O)n2C)C(C)=NC1
InChIInChI=1S/C27H29N5O3/c1-7-17-8-18(16(3)29-12-17)19-9-20-21(10-23(19)34-5)30-13-22-26(20)32(27(33)31(22)4)25-15(2)11-28-14-24(25)35-6/h8-11,13-14,17H,7,12H2,1-6H3
InChIKeyDVYFBVOUDAGHCX-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.48
Rot. Bonds5

About 8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one

8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 145161829) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID145161829
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCC1C=C(c2cc3c(cc2OC)ncc2c3n(-c3c(C)cncc3OC)c(=O)n2C)C(C)=NC1
InChIInChI=1S/C27H29N5O3/c1-7-17-8-18(16(3)29-12-17)19-9-20-21(10-23(19)34-5)30-13-22-26(20)32(27(33)31(22)4)25-15(2)11-28-14-24(25)35-6/h8-11,13-14,17H,7,12H2,1-6H3
InChIKeyDVYFBVOUDAGHCX-UHFFFAOYSA-N
XLogP4.48
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one with MolForge

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Related Compounds

1-(3-fluoro-5-methyl-4-pyridinyl)-7-methoxy-3-methyl-8-(3-methyl-1,2-dihydro-1,3,2-diazaphosphol-5-yl)imidazo[4,5-c]quinolin-2-one
CID 146228359
8-(1,3-dimethylpyrazol-4-yl)-1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
CID 148708079
1-(3,5-difluoro-4-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589435
1-[3-fluoro-5-(trideuteriomethoxy)-4-pyridinyl]-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 122589373
7-methoxy-3-methyl-1-(3-methyl-4-pyridinyl)-8-(2H-pyrrol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 149406912
8-[2-(difluoromethyl)-3-methyl-3,4-dihydropyrazol-4-yl]-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
CID 146221285
8-(2,3-dimethyl-3,4-dihydropyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
CID 146221284
8-(1,3-dimethylpyrazol-4-yl)-1-(4-fluoro-2-methoxy-1H-pyrrol-3-yl)-7-methoxy-3-methylimidazo[4,5-c]quinolin-2-one
CID 155160544
1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 134325522
1-(3-ethoxy-5-fluoro-4-pyridinyl)-7-(methoxymethyl)-3-methyl-8-(2-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 146228471
1-(5-ethenyl-2-pyridinyl)-7-methoxy-3-methyl-8-(1-methylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 145161742
1-(3-fluoro-5-methoxy-2-pyridinyl)-7-methoxy-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-2-one
CID 134325571

Frequently Asked Questions

What is the IUPAC name of 8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 145161829) is 8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is CCC1C=C(c2cc3c(cc2OC)ncc2c3n(-c3c(C)cncc3OC)c(=O)n2C)C(C)=NC1.
What is the InChIKey of 8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is DVYFBVOUDAGHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-7-17-8-18(16(3)29-12-17)19-9-20-21(10-23(19)34-5)30-13-22-26(20)32(27(33)31(22)4)25-15(2)11-28-14-24(25)35-6/h8-11,13-14,17H,7,12H2,1-6H3.
What are the key properties of 8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 471.56 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethyl-6-methyl-2,3-dihydropyridin-5-yl)-7-methoxy-1-(3-methoxy-5-methyl-4-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 145161829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).