N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide

C25H20N4O — CID 166229028

IUPACN-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccccc1C1CC1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C25H20N4O/c30-25(29-27-16-19-5-1-2-6-20(19)17-9-10-17)22-15-24(18-11-13-26-14-12-18)28-23-8-4-3-7-21(22)23/h1-8,11-17H,9-10H2,(H,29,30)/b27-16+
InChIKeyVBMVWHSSXFUSSK-JVWAILMASA-N
MW392.46 g/mol
LogP4.94
Rot. Bonds5

About N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide

N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 166229028) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID166229028
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC NameN-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccccc1C1CC1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C25H20N4O/c30-25(29-27-16-19-5-1-2-6-20(19)17-9-10-17)22-15-24(18-11-13-26-14-12-18)28-23-8-4-3-7-21(22)23/h1-8,11-17H,9-10H2,(H,29,30)/b27-16+
InChIKeyVBMVWHSSXFUSSK-JVWAILMASA-N
XLogP4.94
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 5430588
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577415
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135577418
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135722845
2-pyridin-1-ium-4-yl-N-(pyridin-4-ylmethylideneamino)quinoline-4-carboxamide
CID 135505088
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 18275081
N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 3485372
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55353125
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135549826
2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781987
2-(4-propylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 5455020

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide (CID 166229028) is N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide is O=C(N/N=C/c1ccccc1C1CC1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is VBMVWHSSXFUSSK-JVWAILMASA-N. The full InChI is InChI=1S/C25H20N4O/c30-25(29-27-16-19-5-1-2-6-20(19)17-9-10-17)22-15-24(18-11-13-26-14-12-18)28-23-8-4-3-7-21(22)23/h1-8,11-17H,9-10H2,(H,29,30)/b27-16+.
What are the key properties of N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 166229028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).