2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide

C18H13N5O2 — CID 137291848

IUPAC2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1ncc[nH]1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C18H13N5O2/c24-18(23-21-11-17-19-7-8-20-17)13-10-15(16-6-3-9-25-16)22-14-5-2-1-4-12(13)14/h1-11H,(H,19,20)(H,23,24)/b21-11+
InChIKeyDGMSMECAIXQBDU-SRZZPIQSSA-N
MW331.34 g/mol
LogP2.98
Rot. Bonds4

About 2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide

2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide (PubChem CID 137291848) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide
PubChem CID137291848
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1ncc[nH]1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C18H13N5O2/c24-18(23-21-11-17-19-7-8-20-17)13-10-15(16-6-3-9-25-16)22-14-5-2-1-4-12(13)14/h1-11H,(H,19,20)(H,23,24)/b21-11+
InChIKeyDGMSMECAIXQBDU-SRZZPIQSSA-N
XLogP2.98
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(furan-2-yl)-N-[(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
CID 2490689
2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
CID 6906616
N-[(E)-(3-chloro-4,5-dihydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
CID 135747838
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
CID 5455193
2-(furan-2-yl)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 9214487
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(furan-2-yl)quinoline-4-carboxamide
CID 135577198
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N-[(Z)-1H-imidazol-2-ylmethylideneamino]benzamide
CID 137321091
N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3469190
2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
CID 3663828
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide (CID 137291848) is 2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide is O=C(N/N=C/c1ncc[nH]1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of 2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide?
The InChIKey is DGMSMECAIXQBDU-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H13N5O2/c24-18(23-21-11-17-19-7-8-20-17)13-10-15(16-6-3-9-25-16)22-14-5-2-1-4-12(13)14/h1-11H,(H,19,20)(H,23,24)/b21-11+.
What are the key properties of 2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide?
2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(E)-1H-imidazol-2-ylmethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 137291848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).