N-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide

C24H18N4O — CID 3277531

IUPACN-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NN=C1CCc2ccccc21)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C24H18N4O/c29-24(28-27-22-12-11-16-6-1-2-8-18(16)22)20-14-23(17-7-5-13-25-15-17)26-21-10-4-3-9-19(20)21/h1-10,13-15H,11-12H2,(H,28,29)
InChIKeyWBPTXUZMEDMPOY-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.38
Rot. Bonds3

About N-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide

N-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 3277531) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is N-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID3277531
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC NameN-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(NN=C1CCc2ccccc21)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C24H18N4O/c29-24(28-27-22-12-11-16-6-1-2-8-18(16)22)20-14-23(17-7-5-13-25-15-17)26-21-10-4-3-9-19(20)21/h1-10,13-15H,11-12H2,(H,28,29)
InChIKeyWBPTXUZMEDMPOY-UHFFFAOYSA-N
XLogP4.38
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.38
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

N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-(2-adamantylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078583
N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 9216689
N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078554
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612002
N-(2-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39889991
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078505
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide (CID 3277531) is N-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide is O=C(NN=C1CCc2ccccc21)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is WBPTXUZMEDMPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c29-24(28-27-22-12-11-16-6-1-2-8-18(16)22)20-14-23(17-7-5-13-25-15-17)26-21-10-4-3-9-19(20)21/h1-10,13-15H,11-12H2,(H,28,29).
What are the key properties of N-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide?
N-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 3277531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).