N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide

C24H18N4O2 — CID 9216689

IUPACN-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(N/N=C1/CCOc2ccccc21)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C24H18N4O2/c29-24(28-27-21-11-14-30-23-8-4-2-6-18(21)23)19-15-22(16-9-12-25-13-10-16)26-20-7-3-1-5-17(19)20/h1-10,12-13,15H,11,14H2,(H,28,29)/b27-21-
InChIKeyHNTCYJRWESOHQY-MEFGMAGPSA-N
MW394.43 g/mol
LogP4.21
Rot. Bonds3

About N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide

N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 9216689) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID9216689
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC NameN-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(N/N=C1/CCOc2ccccc21)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C24H18N4O2/c29-24(28-27-21-11-14-30-23-8-4-2-6-18(21)23)19-15-22(16-9-12-25-13-10-16)26-20-7-3-1-5-17(19)20/h1-10,12-13,15H,11,14H2,(H,28,29)/b27-21-
InChIKeyHNTCYJRWESOHQY-MEFGMAGPSA-N
XLogP4.21
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
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

N-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide
CID 3277531
2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 5430588
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 9216686
N-morpholin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 2374192
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17372199
N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 166229028
N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7933716
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-phenylquinoline-4-carboxamide
CID 126040448
N-[[5-(dimethylamino)furan-2-yl]methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 3485372
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135907325
N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
CID 26796355

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide (CID 9216689) is N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide is O=C(N/N=C1/CCOc2ccccc21)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is HNTCYJRWESOHQY-MEFGMAGPSA-N. The full InChI is InChI=1S/C24H18N4O2/c29-24(28-27-21-11-14-30-23-8-4-2-6-18(21)23)19-15-22(16-9-12-25-13-10-16)26-20-7-3-1-5-17(19)20/h1-10,12-13,15H,11,14H2,(H,28,29)/b27-21-.
What are the key properties of N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 9216689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).