N-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide

C25H27FN6O2 — CID 71747704

IUPACN-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide
SMILESCc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(/C=N/NC(=O)c1ccncc1)cn2C1CC1
InChIInChI=1S/C25H27FN6O2/c1-15-13-31(10-9-28-15)21-11-20-22(16(2)23(21)26)24(33)18(14-32(20)19-3-4-19)12-29-30-25(34)17-5-7-27-8-6-17/h5-8,11-12,14-15,19,28H,3-4,9-10,13H2,1-2H3,(H,30,34)/b29-12+
InChIKeyDELDYKXBPQSNTK-XKJRVUDJSA-N
MW462.53 g/mol
LogP2.74
Rot. Bonds5

About N-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide (PubChem CID 71747704) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide
PubChem CID71747704
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC NameN-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide
SMILESCc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(/C=N/NC(=O)c1ccncc1)cn2C1CC1
InChIInChI=1S/C25H27FN6O2/c1-15-13-31(10-9-28-15)21-11-20-22(16(2)23(21)26)24(33)18(14-32(20)19-3-4-19)12-29-30-25(34)17-5-7-27-8-6-17/h5-8,11-12,14-15,19,28H,3-4,9-10,13H2,1-2H3,(H,30,34)/b29-12+
InChIKeyDELDYKXBPQSNTK-XKJRVUDJSA-N
XLogP2.74
TPSA91.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide 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

N-[(E)-[7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide
CID 71747524
6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-1-(2,2,3,3-tetradeuteriocyclopropyl)quinoline-3-carboxylic acid
CID 169441061
1-cyclopropyl-6-fluoro-7-[4-[hydroxy(methoxy)phosphoryl]-3-methylpiperazin-1-yl]-5-methyl-4-oxoquinoline-3-carboxylic acid;ethane
CID 143187150
1-cyclopropyl-6-fluoro-5-methyl-7-[7-(methylamino)-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid
CID 139636868
5-amino-1-cyclopropyl-6-fluoro-8-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10571433
N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide
CID 126068365
[1-cyclopropyl-6-fluoro-5-methyl-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] hydrogen carbonate
CID 67758773
1-cyclopropyl-7-[4-(dimethylamino)-3,3-dimethylpyrrolidin-1-yl]-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
CID 139636850
N-[(E)-(2,4-difluorophenyl)methylideneamino]pyridine-4-carboxamide
CID 6902849
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
ethyl 1-[5-[(pyridine-4-carbonylhydrazinylidene)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxylate
CID 1490837
N-[(E)-[1-(3-bromo-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 21370610

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide (CID 71747704) is N-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide is Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(/C=N/NC(=O)c1ccncc1)cn2C1CC1.
What is the InChIKey of N-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is DELDYKXBPQSNTK-XKJRVUDJSA-N. The full InChI is InChI=1S/C25H27FN6O2/c1-15-13-31(10-9-28-15)21-11-20-22(16(2)23(21)26)24(33)18(14-32(20)19-3-4-19)12-29-30-25(34)17-5-7-27-8-6-17/h5-8,11-12,14-15,19,28H,3-4,9-10,13H2,1-2H3,(H,30,34)/b29-12+.
What are the key properties of N-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 71747704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).