5-butyl-1-methylimidazo[4,5-c]quinolin-4-one

C15H17N3O — CID 3077017

IUPAC5-butyl-1-methylimidazo[4,5-c]quinolin-4-one
SMILESCCCCn1c(=O)c2ncn(C)c2c2ccccc21
InChIInChI=1S/C15H17N3O/c1-3-4-9-18-12-8-6-5-7-11(12)14-13(15(18)19)16-10-17(14)2/h5-8,10H,3-4,9H2,1-2H3
InChIKeyCVLGNWUGFVTZRC-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.69
Rot. Bonds3

About 5-butyl-1-methylimidazo[4,5-c]quinolin-4-one

5-butyl-1-methylimidazo[4,5-c]quinolin-4-one (PubChem CID 3077017) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-butyl-1-methylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-butyl-1-methylimidazo[4,5-c]quinolin-4-one
PubChem CID3077017
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5-butyl-1-methylimidazo[4,5-c]quinolin-4-one
SMILESCCCCn1c(=O)c2ncn(C)c2c2ccccc21
InChIInChI=1S/C15H17N3O/c1-3-4-9-18-12-8-6-5-7-11(12)14-13(15(18)19)16-10-17(14)2/h5-8,10H,3-4,9H2,1-2H3
InChIKeyCVLGNWUGFVTZRC-UHFFFAOYSA-N
XLogP2.69
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

KF 18280
CID 3071941
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-ethyl-5-phenyl-
CID 3071939
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-methyl-5-phenyl-
CID 3071959
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-5-phenyl-3-propyl-
CID 3071969
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(2-methylpropyl)-5-phenyl-
CID 3071971
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-(1-methylethyl)-5-phenyl-
CID 3071940
4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-5-butyl-3-methyl-
CID 3071975
4H-Imidazo(4,5-c)quinolin-4-one, 1,5-dihydro-5-butyl-1,8-dimethyl-
CID 3077034
Pyrido[2',1':2,3]imidazo[4,5-c]quinolin-6(5H)-one
CID 616556
2-(2,3-dihydro-1H-indol-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 663648
2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-N-o-tolyl-acetamide
CID 775387
3-[3-(Trifluoromethyl)phenyl]-5-isopropylimidazo[1,5-a]quinoxaline-4(5H)-one
CID 10523240

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-methylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 5-butyl-1-methylimidazo[4,5-c]quinolin-4-one (CID 3077017) is 5-butyl-1-methylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-butyl-1-methylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-butyl-1-methylimidazo[4,5-c]quinolin-4-one is CCCCn1c(=O)c2ncn(C)c2c2ccccc21.
What is the InChIKey of 5-butyl-1-methylimidazo[4,5-c]quinolin-4-one?
The InChIKey is CVLGNWUGFVTZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-4-9-18-12-8-6-5-7-11(12)14-13(15(18)19)16-10-17(14)2/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 5-butyl-1-methylimidazo[4,5-c]quinolin-4-one?
5-butyl-1-methylimidazo[4,5-c]quinolin-4-one has a molecular weight of 255.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-methylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 3077017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).