1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide

C29H26FN5O4 — CID 155542962

IUPAC1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cn(C3CC3)c3cc(N/N=C/c4ccc(OC)cc4)c(F)cc3c2=O)cc1
InChIInChI=1S/C29H26FN5O4/c1-38-21-9-3-18(4-10-21)15-31-33-26-14-27-23(13-25(26)30)28(36)24(17-35(27)20-7-8-20)29(37)34-32-16-19-5-11-22(39-2)12-6-19/h3-6,9-17,20,33H,7-8H2,1-2H3,(H,34,37)/b31-15+,32-16+
InChIKeyXFCVSGZJLWJEDL-IHXWQEJPSA-N
MW527.56 g/mol
LogP4.70
Rot. Bonds9

About 1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide

1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide (PubChem CID 155542962) has the molecular formula C29H26FN5O4 and a molecular weight of 527.56 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide
PubChem CID155542962
Molecular FormulaC29H26FN5O4
Molecular Weight527.56 g/mol
Exact Mass527.20
IUPAC Name1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cn(C3CC3)c3cc(N/N=C/c4ccc(OC)cc4)c(F)cc3c2=O)cc1
InChIInChI=1S/C29H26FN5O4/c1-38-21-9-3-18(4-10-21)15-31-33-26-14-27-23(13-25(26)30)28(36)24(17-35(27)20-7-8-20)29(37)34-32-16-19-5-11-22(39-2)12-6-19/h3-6,9-17,20,33H,7-8H2,1-2H3,(H,34,37)/b31-15+,32-16+
InChIKeyXFCVSGZJLWJEDL-IHXWQEJPSA-N
XLogP4.70
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.56
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide with MolForge

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Related Compounds

1-ethyl-6-fluoro-N-[(E)-(2-methoxyphenyl)methylideneamino]-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 56601263
1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid benzo[1,3]dioxol-5-ylmethylene-hydrazide
CID 56961416
7-(4-carbamoylpiperidin-1-yl)-1-cyclopropyl-6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 57343013
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-[(2E)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 155514116
1-cyclopropyl-6-fluoro-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-7-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]quinoline-3-carboxamide
CID 155569014
1-ethyl-6-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 156010723
1-cyclopropyl-6-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide
CID 156010964
1-cyclopropyl-6-fluoro-N-[(E)-(2-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide
CID 156015986
1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]quinoline-3-carboxamide
CID 156017477
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 156019501
1-ethyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-7-piperazin-1-ylquinoline-3-carboxamide
CID 156022145
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(4-methylbenzoyl)amino]benzamide
CID 118732938

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide (CID 155542962) is 1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide is COc1ccc(/C=N/NC(=O)c2cn(C3CC3)c3cc(N/N=C/c4ccc(OC)cc4)c(F)cc3c2=O)cc1.
What is the InChIKey of 1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide?
The InChIKey is XFCVSGZJLWJEDL-IHXWQEJPSA-N. The full InChI is InChI=1S/C29H26FN5O4/c1-38-21-9-3-18(4-10-21)15-31-33-26-14-27-23(13-25(26)30)28(36)24(17-35(27)20-7-8-20)29(37)34-32-16-19-5-11-22(39-2)12-6-19/h3-6,9-17,20,33H,7-8H2,1-2H3,(H,34,37)/b31-15+,32-16+.
What are the key properties of 1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide?
1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide has a molecular weight of 527.56 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-fluoro-N-[(E)-(4-methoxyphenyl)methylideneamino]-7-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 155542962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).