1-(2-methoxypropyl)-3-methyl-8-[5-(2-nitrosopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one

C23H25N5O3 — CID 146187603

IUPAC1-(2-methoxypropyl)-3-methyl-8-[5-(2-nitrosopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
SMILESCOC(C)Cn1c(=O)n(C)c2cnc3ccc(-c4cncc(C(C)(C)N=O)c4)cc3c21
InChIInChI=1S/C23H25N5O3/c1-14(31-5)13-28-21-18-9-15(16-8-17(11-24-10-16)23(2,3)26-30)6-7-19(18)25-12-20(21)27(4)22(28)29/h6-12,14H,13H2,1-5H3
InChIKeyYZJNNICOOLMJKB-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.99
Rot. Bonds6

About 1-(2-methoxypropyl)-3-methyl-8-[5-(2-nitrosopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one

1-(2-methoxypropyl)-3-methyl-8-[5-(2-nitrosopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (PubChem CID 146187603) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 1-(2-methoxypropyl)-3-methyl-8-[5-(2-nitrosopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(2-methoxypropyl)-3-methyl-8-[5-(2-nitrosopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
PubChem CID146187603
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name1-(2-methoxypropyl)-3-methyl-8-[5-(2-nitrosopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
SMILESCOC(C)Cn1c(=O)n(C)c2cnc3ccc(-c4cncc(C(C)(C)N=O)c4)cc3c21
InChIInChI=1S/C23H25N5O3/c1-14(31-5)13-28-21-18-9-15(16-8-17(11-24-10-16)23(2,3)26-30)6-7-19(18)25-12-20(21)27(4)22(28)29/h6-12,14H,13H2,1-5H3
InChIKeyYZJNNICOOLMJKB-UHFFFAOYSA-N
XLogP3.99
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[8-[5-(cyanomethoxy)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
CID 71553506
2-[5-[1-[6-[(3R)-3-hydroxybutanimidoyl]-2-methyl-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-pyridinyl]-2-methylpropanenitrile
CID 174679210
3-[(4-methoxyphenyl)methyl]-1-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 155551609
8-[5-(aminomethyl)-3-pyridinyl]-1-(1,3-dimethylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620031
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(hydroxymethyl)-5-propan-2-yloxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619932
N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-3-methylphenyl]formamide
CID 167043058
3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
CID 77106932
[4-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]phosphonic acid
CID 163399444
1-(2,6-dimethoxy-3-pyridinyl)-8-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59612983
tert-butyl 4-[[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]carbamoylamino]piperidine-1-carboxylate
CID 163289553
4-(dimethylamino)-N-[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]piperidine-1-carboxamide
CID 163286357
1-(2-ethylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 11978091

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropyl)-3-methyl-8-[5-(2-nitrosopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(2-methoxypropyl)-3-methyl-8-[5-(2-nitrosopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one (CID 146187603) is 1-(2-methoxypropyl)-3-methyl-8-[5-(2-nitrosopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(2-methoxypropyl)-3-methyl-8-[5-(2-nitrosopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(2-methoxypropyl)-3-methyl-8-[5-(2-nitrosopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is COC(C)Cn1c(=O)n(C)c2cnc3ccc(-c4cncc(C(C)(C)N=O)c4)cc3c21.
What is the InChIKey of 1-(2-methoxypropyl)-3-methyl-8-[5-(2-nitrosopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
The InChIKey is YZJNNICOOLMJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-14(31-5)13-28-21-18-9-15(16-8-17(11-24-10-16)23(2,3)26-30)6-7-19(18)25-12-20(21)27(4)22(28)29/h6-12,14H,13H2,1-5H3.
What are the key properties of 1-(2-methoxypropyl)-3-methyl-8-[5-(2-nitrosopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one?
1-(2-methoxypropyl)-3-methyl-8-[5-(2-nitrosopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one has a molecular weight of 419.49 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropyl)-3-methyl-8-[5-(2-nitrosopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 146187603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).