1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile

C26H34N4O3 — CID 143050546

IUPAC1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile
SMILESCNCCCC#N.Cc1c(N2CCC(C3CC3)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C21H24N2O3.C5H10N2/c1-12-18(22-9-8-14(10-22)13-2-3-13)7-6-16-19(12)23(15-4-5-15)11-17(20(16)24)21(25)26;1-7-5-3-2-4-6/h6-7,11,13-15H,2-5,8-10H2,1H3,(H,25,26);7H,2-3,5H2,1H3
InChIKeyFLVXPFXOZQSDSY-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.09
Rot. Bonds7

About 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile

1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile (PubChem CID 143050546) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile.

Molecular Properties

Compound Name1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile
PubChem CID143050546
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile
SMILESCNCCCC#N.Cc1c(N2CCC(C3CC3)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C21H24N2O3.C5H10N2/c1-12-18(22-9-8-14(10-22)13-2-3-13)7-6-16-19(12)23(15-4-5-15)11-17(20(16)24)21(25)26;1-7-5-3-2-4-6/h6-7,11,13-15H,2-5,8-10H2,1H3,(H,25,26);7H,2-3,5H2,1H3
InChIKeyFLVXPFXOZQSDSY-UHFFFAOYSA-N
XLogP4.09
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 143050584
7-[4-(2-cyanoethylamino)-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11154316
7-[3-(1-amino-2-cyano-2-methylpropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11154060
7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 67271866
1-cyclopropyl-7-(4-hydroxypiperidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 10497488
7-[(3R)-3-[1-(ethylamino)cyclopropyl]pyrrolidin-1-yl]-1-[(2S)-2-fluorocyclopropyl]-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 142141182
difluoroboranyl 7-[(3S)-3-acetamidopyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylate
CID 10811869
difluoroboranyl 7-(3-acetamidopyrrolidin-1-yl)-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylate
CID 10716842
7-[3-(1-amino-2-cyanoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 11773899
7-[(3S,4R)-3-amino-4-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 69059595
7-[3a-(2-cyanoethylamino)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 91091812
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-4-oxoquinoline-3-carboxylic acid
CID 67272284

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile?
The IUPAC name of 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile (CID 143050546) is 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile.
What is the SMILES notation for 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile?
The canonical SMILES for 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile is CNCCCC#N.Cc1c(N2CCC(C3CC3)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile?
The InChIKey is FLVXPFXOZQSDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.C5H10N2/c1-12-18(22-9-8-14(10-22)13-2-3-13)7-6-16-19(12)23(15-4-5-15)11-17(20(16)24)21(25)26;1-7-5-3-2-4-6/h6-7,11,13-15H,2-5,8-10H2,1H3,(H,25,26);7H,2-3,5H2,1H3.
What are the key properties of 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile?
1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile has a molecular weight of 450.58 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile is sourced from PubChem (CID 143050546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).