2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide

C20H17N3O — CID 3594985

IUPAC2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide
SMILESO=C(NN=Cc1cccc2cccnc12)C1CC1c1ccccc1
InChIInChI=1S/C20H17N3O/c24-20(18-12-17(18)14-6-2-1-3-7-14)23-22-13-16-9-4-8-15-10-5-11-21-19(15)16/h1-11,13,17-18H,12H2,(H,23,24)
InChIKeyURXMUFGGIANMSU-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.49
Rot. Bonds4

About 2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide

2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide (PubChem CID 3594985) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide
PubChem CID3594985
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide
SMILESO=C(NN=Cc1cccc2cccnc12)C1CC1c1ccccc1
InChIInChI=1S/C20H17N3O/c24-20(18-12-17(18)14-6-2-1-3-7-14)23-22-13-16-9-4-8-15-10-5-11-21-19(15)16/h1-11,13,17-18H,12H2,(H,23,24)
InChIKeyURXMUFGGIANMSU-UHFFFAOYSA-N
XLogP3.49
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.49
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'}

Analyze 2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-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-(naphthalen-1-ylmethylideneamino)-2-phenylcyclopropane-1-carboxamide
CID 4154007
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)-N-[(E)-(8-fluoroquinolin-6-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 134153288
trans-(1R,2R)-2-phenyl-N-[[8-(trifluoromethyl)quinolin-6-yl]methylideneamino]cyclopropane-1-carboxamide
CID 66954273
trans-(1R,2R)-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 5392525
trans-(1S,2S)-2-phenyl-N-(pyridin-4-ylmethylideneamino)cyclopropane-1-carboxamide
CID 129359921
cis-(1R,2S)-N-[(Z)-(2-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6975322
trans-(1S,2S)-N-[(2-nitrophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 1237032
(1S,2R)-N-[(Z)-anthracen-9-ylmethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 40553633
cis-(1S,2R)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 7452524
trans-(1R,2R)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135688132

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide?
The IUPAC name of 2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide (CID 3594985) is 2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide?
The canonical SMILES for 2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide is O=C(NN=Cc1cccc2cccnc12)C1CC1c1ccccc1.
What is the InChIKey of 2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide?
The InChIKey is URXMUFGGIANMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c24-20(18-12-17(18)14-6-2-1-3-7-14)23-22-13-16-9-4-8-15-10-5-11-21-19(15)16/h1-11,13,17-18H,12H2,(H,23,24).
What are the key properties of 2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide?
2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(quinolin-8-ylmethylideneamino)cyclopropane-1-carboxamide is sourced from PubChem (CID 3594985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).