N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide

C23H18N4O — CID 2082865

IUPACN-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1ccc(C=NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C23H18N4O/c1-16-8-10-17(11-9-16)14-25-27-23(28)20-13-22(18-5-4-12-24-15-18)26-21-7-3-2-6-19(20)21/h2-15H,1H3,(H,27,28)
InChIKeySNBQNDVQCIVCRR-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.37
Rot. Bonds4

About N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide

N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 2082865) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID2082865
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC NameN-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1ccc(C=NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C23H18N4O/c1-16-8-10-17(11-9-16)14-25-27-23(28)20-13-22(18-5-4-12-24-15-18)26-21-7-3-2-6-19(20)21/h2-15H,1H3,(H,27,28)
InChIKeySNBQNDVQCIVCRR-UHFFFAOYSA-N
XLogP4.37
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.37
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-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078505
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3477696
N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4618882
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078588
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237207
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2325178
2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
CID 24818728
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (CID 2082865) is N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is Cc1ccc(C=NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is SNBQNDVQCIVCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-16-8-10-17(11-9-16)14-25-27-23(28)20-13-22(18-5-4-12-24-15-18)26-21-7-3-2-6-19(20)21/h2-15H,1H3,(H,27,28).
What are the key properties of N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 2082865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).