3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid

C25H31N7O4 — CID 174211523

IUPAC3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
SMILESCc1cc2c(c3nc(CCn4cccn4)n(CC(=O)N4CCC(C(N)=O)C4)c13)CCC(C)N2C(=O)O
InChIInChI=1S/C25H31N7O4/c1-15-12-19-18(5-4-16(2)32(19)25(35)36)22-23(15)31(20(28-22)7-11-30-9-3-8-27-30)14-21(33)29-10-6-17(13-29)24(26)34/h3,8-9,12,16-17H,4-7,10-11,13-14H2,1-2H3,(H2,26,34)(H,35,36)
InChIKeySATMHJPDFISOSA-UHFFFAOYSA-N
MW493.57 g/mol
LogP1.94
Rot. Bonds6

About 3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid

3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (PubChem CID 174211523) has the molecular formula C25H31N7O4 and a molecular weight of 493.57 g/mol. Its IUPAC name is 3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
PubChem CID174211523
Molecular FormulaC25H31N7O4
Molecular Weight493.57 g/mol
Exact Mass493.24
IUPAC Name3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
SMILESCc1cc2c(c3nc(CCn4cccn4)n(CC(=O)N4CCC(C(N)=O)C4)c13)CCC(C)N2C(=O)O
InChIInChI=1S/C25H31N7O4/c1-15-12-19-18(5-4-16(2)32(19)25(35)36)22-23(15)31(20(28-22)7-11-30-9-3-8-27-30)14-21(33)29-10-6-17(13-29)24(26)34/h3,8-9,12,16-17H,4-7,10-11,13-14H2,1-2H3,(H2,26,34)(H,35,36)
InChIKeySATMHJPDFISOSA-UHFFFAOYSA-N
XLogP1.94
TPSA139.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.57
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?
The IUPAC name of 3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid (CID 174211523) is 3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid.
What is the SMILES notation for 3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?
The canonical SMILES for 3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is Cc1cc2c(c3nc(CCn4cccn4)n(CC(=O)N4CCC(C(N)=O)C4)c13)CCC(C)N2C(=O)O.
What is the InChIKey of 3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?
The InChIKey is SATMHJPDFISOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O4/c1-15-12-19-18(5-4-16(2)32(19)25(35)36)22-23(15)31(20(28-22)7-11-30-9-3-8-27-30)14-21(33)29-10-6-17(13-29)24(26)34/h3,8-9,12,16-17H,4-7,10-11,13-14H2,1-2H3,(H2,26,34)(H,35,36).
What are the key properties of 3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid?
3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid has a molecular weight of 493.57 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-carbamoylpyrrolidin-1-yl)-2-oxoethyl]-4,7-dimethyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid is sourced from PubChem (CID 174211523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).