2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline

C24H27N3OS — CID 67051125

IUPAC2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline
SMILESCSCCCCCn1c(C)nc2cnc3ccc(OCc4ccccc4)cc3c21
InChIInChI=1S/C24H27N3OS/c1-18-26-23-16-25-22-12-11-20(28-17-19-9-5-3-6-10-19)15-21(22)24(23)27(18)13-7-4-8-14-29-2/h3,5-6,9-12,15-16H,4,7-8,13-14,17H2,1-2H3
InChIKeyJWYOBXMDMKLNQC-UHFFFAOYSA-N
MW405.57 g/mol
LogP6.01
Rot. Bonds9

About 2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline

2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline (PubChem CID 67051125) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is 2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline
PubChem CID67051125
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC Name2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline
SMILESCSCCCCCn1c(C)nc2cnc3ccc(OCc4ccccc4)cc3c21
InChIInChI=1S/C24H27N3OS/c1-18-26-23-16-25-22-12-11-20(28-17-19-9-5-3-6-10-19)15-21(22)24(23)27(18)13-7-4-8-14-29-2/h3,5-6,9-12,15-16H,4,7-8,13-14,17H2,1-2H3
InChIKeyJWYOBXMDMKLNQC-UHFFFAOYSA-N
XLogP6.01
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.57
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline
CID 22320512
4-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butan-1-amine
CID 141108816
2-methyl-1-(2-methyl-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)propan-2-ol
CID 123382300
[1-[2-(ethoxymethyl)-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] carbamate
CID 68971607
2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline
CID 22254431
2-chloro-4-methyl-6-phenylmethoxyquinoline
CID 82580959
3,4-dichloro-6-phenylmethoxyquinoline
CID 114759785
2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethyl carbamate
CID 175245681
tert-butyl-[2-[2-(chloromethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]ethoxy]-dimethylsilane
CID 66649907
2-methyl-6-phenylmethoxyquinoline
CID 82580854
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130
4-chloro-6-phenylmethoxyquinolin-3-amine
CID 102614162

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline?
The IUPAC name of 2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline (CID 67051125) is 2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline.
What is the SMILES notation for 2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline?
The canonical SMILES for 2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline is CSCCCCCn1c(C)nc2cnc3ccc(OCc4ccccc4)cc3c21.
What is the InChIKey of 2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline?
The InChIKey is JWYOBXMDMKLNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-18-26-23-16-25-22-12-11-20(28-17-19-9-5-3-6-10-19)15-21(22)24(23)27(18)13-7-4-8-14-29-2/h3,5-6,9-12,15-16H,4,7-8,13-14,17H2,1-2H3.
What are the key properties of 2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline?
2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline has a molecular weight of 405.57 g/mol, XLogP of 6.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline is sourced from PubChem (CID 67051125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).