2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide

C21H19N3O3 — CID 135549800

IUPAC2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)c1O
InChIInChI=1S/C21H19N3O3/c1-27-19-8-4-5-14(20(19)25)12-22-24-21(26)16-11-18(13-9-10-13)23-17-7-3-2-6-15(16)17/h2-8,11-13,25H,9-10H2,1H3,(H,24,26)/b22-12+
InChIKeySZJGHJKOLYNITM-WSDLNYQXSA-N
MW361.40 g/mol
LogP3.59
Rot. Bonds5

About 2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide

2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 135549800) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID135549800
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)c1O
InChIInChI=1S/C21H19N3O3/c1-27-19-8-4-5-14(20(19)25)12-22-24-21(26)16-11-18(13-9-10-13)23-17-7-3-2-6-15(16)17/h2-8,11-13,25H,9-10H2,1H3,(H,24,26)/b22-12+
InChIKeySZJGHJKOLYNITM-WSDLNYQXSA-N
XLogP3.59
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-2-cyclopropylquinoline-4-carboxamide
CID 1388519
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
2-cyclopropyl-N-[(E)-(3,5-dichlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 45108999
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3897385
2-cyclopropyl-N-[(E)-furan-3-ylmethylideneamino]quinoline-4-carboxamide
CID 6875010
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135722845
2-cyclopropyl-N-[(E)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
CID 6884339
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 1125272
2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 9483435
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 5404495
2-(4-fluorophenyl)-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 3482852
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 135717252

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide (CID 135549800) is 2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide is COc1cccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccccc23)c1O.
What is the InChIKey of 2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is SZJGHJKOLYNITM-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-27-19-8-4-5-14(20(19)25)12-22-24-21(26)16-11-18(13-9-10-13)23-17-7-3-2-6-15(16)17/h2-8,11-13,25H,9-10H2,1H3,(H,24,26)/b22-12+.
What are the key properties of 2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide?
2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 135549800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).