2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline

C24H27N3O2S — CID 141093830

IUPAC2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline
SMILESCCCCc1nc2cnc3cc(-c4ccccc4)ccc3c2n1CCCS(C)(=O)=O
InChIInChI=1S/C24H27N3O2S/c1-3-4-11-23-26-22-17-25-21-16-19(18-9-6-5-7-10-18)12-13-20(21)24(22)27(23)14-8-15-30(2,28)29/h5-7,9-10,12-13,16-17H,3-4,8,11,14-15H2,1-2H3
InChIKeyDMMYBSAQUDNXHX-UHFFFAOYSA-N
MW421.57 g/mol
LogP5.03
Rot. Bonds8

About 2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline

2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline (PubChem CID 141093830) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline
PubChem CID141093830
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline
SMILESCCCCc1nc2cnc3cc(-c4ccccc4)ccc3c2n1CCCS(C)(=O)=O
InChIInChI=1S/C24H27N3O2S/c1-3-4-11-23-26-22-17-25-21-16-19(18-9-6-5-7-10-18)12-13-20(21)24(22)27(23)14-8-15-30(2,28)29/h5-7,9-10,12-13,16-17H,3-4,8,11,14-15H2,1-2H3
InChIKeyDMMYBSAQUDNXHX-UHFFFAOYSA-N
XLogP5.03
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
2-butyl-7-methyl-1-(5-methylsulfonylpentyl)imidazo[4,5-c]pyridine
CID 141082506
2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 22254436
4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butylcarbamic acid
CID 68822265
3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol
CID 164568357
1-butyl-2-propyl-7-pyridin-3-ylimidazo[4,5-c]quinolin-4-amine
CID 173204364
tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate
CID 86593760
1-pentylimidazo[4,5-c]quinolin-2-amine
CID 103964360
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018
N-[3-(2-butyl-5-oxidoimidazo[4,5-c]quinolin-5-ium-1-yl)propyl]methanesulfonamide
CID 22344412
2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine
CID 174513407
7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline
CID 155128406

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline?
The IUPAC name of 2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline (CID 141093830) is 2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline.
What is the SMILES notation for 2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline?
The canonical SMILES for 2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline is CCCCc1nc2cnc3cc(-c4ccccc4)ccc3c2n1CCCS(C)(=O)=O.
What is the InChIKey of 2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline?
The InChIKey is DMMYBSAQUDNXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-3-4-11-23-26-22-17-25-21-16-19(18-9-6-5-7-10-18)12-13-20(21)24(22)27(23)14-8-15-30(2,28)29/h5-7,9-10,12-13,16-17H,3-4,8,11,14-15H2,1-2H3.
What are the key properties of 2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline?
2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline has a molecular weight of 421.57 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(3-methylsulfonylpropyl)-7-phenylimidazo[4,5-c]quinoline is sourced from PubChem (CID 141093830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).