2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone

C17H22N4O — CID 167907899

IUPAC2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1nc2c3c(ccc2[nH]1)N(CC(=O)N1CCCC1)CCC3
InChIInChI=1S/C17H22N4O/c1-12-18-14-6-7-15-13(17(14)19-12)5-4-10-21(15)11-16(22)20-8-2-3-9-20/h6-7H,2-5,8-11H2,1H3,(H,18,19)
InChIKeyRFDNIWLTCVNZBQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.25
Rot. Bonds2

About 2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone

2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 167907899) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone
PubChem CID167907899
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1nc2c3c(ccc2[nH]1)N(CC(=O)N1CCCC1)CCC3
InChIInChI=1S/C17H22N4O/c1-12-18-14-6-7-15-13(17(14)19-12)5-4-10-21(15)11-16(22)20-8-2-3-9-20/h6-7H,2-5,8-11H2,1H3,(H,18,19)
InChIKeyRFDNIWLTCVNZBQ-UHFFFAOYSA-N
XLogP2.25
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

Dovitinib
CID 135398510
3-[5-(1H-Imidazol-1-YL)-7-methyl-1H-benzimidazol-2-YL]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1H)-one
CID 135530418
4-Amino-7-fluoro-3-[6-(4-methylpiperazinyl)benzimidazol-2-yl]hydroquinolin-2-one
CID 11682611
4-amino-3-(1H-benzimidazol-2-yl)-5-(4-methylpiperazin-1-yl)-1H-quinolin-2-one
CID 135674133
4-Amino-5-methyl-3-[6-(4-methylpiperazinyl)benzimidazol-2-yl]hydroquinolin-2-one
CID 135926113
4-Amino-6-fluoro-3-[6-(4-methylpiperazinyl)benzimidazol-2-yl]hydroquinolin-2-one
CID 135926114
4-Amino-6-(benzylamino)-3-(6-(4-methylpiperazin-1-yl)-1Hbenzo[d]imidazol-2-yl)quinolin-2(1H)-one
CID 135926116
N-[3-(acetylamino)-5-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 763483
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-methylquinolin-6-yl)acetamide
CID 1259483
Hoechst 34580
CID 448202
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 645440
N-(2-(4-Amino-2-oxo-1,2-dihydroquinolin-3-yl)-1H-benzo[d]imidazol-6-yl)-2-(dimethylamino)-N-methylacetamide
CID 135926104

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone (CID 167907899) is 2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone is Cc1nc2c3c(ccc2[nH]1)N(CC(=O)N1CCCC1)CCC3.
What is the InChIKey of 2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is RFDNIWLTCVNZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-18-14-6-7-15-13(17(14)19-12)5-4-10-21(15)11-16(22)20-8-2-3-9-20/h6-7H,2-5,8-11H2,1H3,(H,18,19).
What are the key properties of 2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone?
2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 298.39 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3,7,8,9-tetrahydroimidazo[4,5-f]quinolin-6-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 167907899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).