2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid

C23H26N4O2 — CID 174211915

IUPAC2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
SMILESCC1CCc2c(ccc3c2nc(Cc2ccccc2)n3C2CCNC2)N1C(=O)O
InChIInChI=1S/C23H26N4O2/c1-15-7-8-18-19(26(15)23(28)29)9-10-20-22(18)25-21(13-16-5-3-2-4-6-16)27(20)17-11-12-24-14-17/h2-6,9-10,15,17,24H,7-8,11-14H2,1H3,(H,28,29)
InChIKeyIMHVQTPVBCXTOP-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.98
Rot. Bonds3

About 2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid

2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (PubChem CID 174211915) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
PubChem CID174211915
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
SMILESCC1CCc2c(ccc3c2nc(Cc2ccccc2)n3C2CCNC2)N1C(=O)O
InChIInChI=1S/C23H26N4O2/c1-15-7-8-18-19(26(15)23(28)29)9-10-20-22(18)25-21(13-16-5-3-2-4-6-16)27(20)17-11-12-24-14-17/h2-6,9-10,15,17,24H,7-8,11-14H2,1H3,(H,28,29)
InChIKeyIMHVQTPVBCXTOP-UHFFFAOYSA-N
XLogP3.98
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?
The IUPAC name of 2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (CID 174211915) is 2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid.
What is the SMILES notation for 2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?
The canonical SMILES for 2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is CC1CCc2c(ccc3c2nc(Cc2ccccc2)n3C2CCNC2)N1C(=O)O.
What is the InChIKey of 2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?
The InChIKey is IMHVQTPVBCXTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-7-8-18-19(26(15)23(28)29)9-10-20-22(18)25-21(13-16-5-3-2-4-6-16)27(20)17-11-12-24-14-17/h2-6,9-10,15,17,24H,7-8,11-14H2,1H3,(H,28,29).
What are the key properties of 2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?
2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid has a molecular weight of 390.49 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is sourced from PubChem (CID 174211915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).