3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one

C26H25N5O — CID 77106932

IUPAC3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(CC2CCNCC2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21
InChIInChI=1S/C26H25N5O/c1-30-24-15-29-23-7-6-18(20-12-19-4-2-3-5-22(19)28-14-20)13-21(23)25(24)31(26(30)32)16-17-8-10-27-11-9-17/h2-7,12-15,17,27H,8-11,16H2,1H3
InChIKeyVPIBQRBFNRTENW-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.10
Rot. Bonds3

About 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one

3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 77106932) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
PubChem CID77106932
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(CC2CCNCC2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21
InChIInChI=1S/C26H25N5O/c1-30-24-15-29-23-7-6-18(20-12-19-4-2-3-5-22(19)28-14-20)13-21(23)25(24)31(26(30)32)16-17-8-10-27-11-9-17/h2-7,12-15,17,27H,8-11,16H2,1H3
InChIKeyVPIBQRBFNRTENW-UHFFFAOYSA-N
XLogP4.10
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one with MolForge

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Related Compounds

1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
CID 66846394
1-methyl-8-quinolin-3-yl-3H-imidazo[4,5-c]quinolin-2-one
CID 69251341
4-methylbenzenesulfonic acid;3-methyl-1-naphthalen-2-yl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
CID 87185338
1-[4-[1-(2-hydroxypropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
CID 90182390
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxetan-2-yl)imidazo[4,5-c]quinolin-2-one
CID 152570701
3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-pyrrolidin-3-ylimidazo[4,5-c]quinolin-2-one
CID 118101793
2-methyl-2-[4-[2-oxo-8-quinolin-3-yl-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 25207809
1-(4-hydroxycyclohexyl)-3-methyl-8-(1-phenylpyrazol-4-yl)imidazo[4,5-c]quinolin-2-one
CID 118101796
2-piperidin-4-yl-1-quinolin-3-ylethanone
CID 116559840
8-(6-ethoxy-3-pyridinyl)-1-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59613060
1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one;4-methylbenzenesulfonic acid
CID 87185561
3-piperidin-4-yl-1-quinolin-3-ylpropan-1-one
CID 116563315

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one (CID 77106932) is 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(CC2CCNCC2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21.
What is the InChIKey of 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is VPIBQRBFNRTENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-30-24-15-29-23-7-6-18(20-12-19-4-2-3-5-22(19)28-14-20)13-21(23)25(24)31(26(30)32)16-17-8-10-27-11-9-17/h2-7,12-15,17,27H,8-11,16H2,1H3.
What are the key properties of 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 423.52 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(piperidin-4-ylmethyl)-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 77106932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).