2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide

C21H18FN3O — CID 66954386

IUPAC2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide
SMILESCc1cc(/C=N\NC(=O)C2CC2c2ccc(F)cc2)cc2cccnc12
InChIInChI=1S/C21H18FN3O/c1-13-9-14(10-16-3-2-8-23-20(13)16)12-24-25-21(26)19-11-18(19)15-4-6-17(22)7-5-15/h2-10,12,18-19H,11H2,1H3,(H,25,26)/b24-12-
InChIKeyGYYSOBXJKXWXOC-MSXFZWOLSA-N
MW347.39 g/mol
LogP3.94
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide

2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide (PubChem CID 66954386) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide
PubChem CID66954386
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide
SMILESCc1cc(/C=N\NC(=O)C2CC2c2ccc(F)cc2)cc2cccnc12
InChIInChI=1S/C21H18FN3O/c1-13-9-14(10-16-3-2-8-23-20(13)16)12-24-25-21(26)19-11-18(19)15-4-6-17(22)7-5-15/h2-10,12,18-19H,11H2,1H3,(H,25,26)/b24-12-
InChIKeyGYYSOBXJKXWXOC-MSXFZWOLSA-N
XLogP3.94
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-N-[(E)-(8-fluoroquinolin-6-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 134153288
N-[(Z)-(8-chloroquinolin-6-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 66954825
(1S)-N-[(8-chloroquinolin-6-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 67532870
trans-(1R,2R)-2-phenyl-N-[[8-(trifluoromethyl)quinolin-6-yl]methylideneamino]cyclopropane-1-carboxamide
CID 66954273
2-(4-fluorophenyl)-N-[(3-methoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 73309390
2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide
CID 3594985
2-(4-fluorophenyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 51292131
trans-(1S,2S)-2-(4-tert-butylphenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]cyclopropane-1-carboxamide
CID 5411900
trans-(1S,2S)-2-phenyl-N-(pyridin-4-ylmethylideneamino)cyclopropane-1-carboxamide
CID 129359921
trans-(1R,2R)-2-(4-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)cyclopropane-1-carboxamide
CID 36937079
2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide
CID 56534973
cis-(1R,2S)-2-(4-tert-butylphenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 51418117

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide (CID 66954386) is 2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide is Cc1cc(/C=N\NC(=O)C2CC2c2ccc(F)cc2)cc2cccnc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide?
The InChIKey is GYYSOBXJKXWXOC-MSXFZWOLSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-13-9-14(10-16-3-2-8-23-20(13)16)12-24-25-21(26)19-11-18(19)15-4-6-17(22)7-5-15/h2-10,12,18-19H,11H2,1H3,(H,25,26)/b24-12-.
What are the key properties of 2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide?
2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(Z)-(8-methylquinolin-6-yl)methylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 66954386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).