N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide

C23H17N5O3 — CID 9078656

IUPACN-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1ccc(/C=N\NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C23H17N5O3/c1-15-9-10-16(12-22(15)28(30)31)14-25-27-23(29)18-13-21(20-8-4-5-11-24-20)26-19-7-3-2-6-17(18)19/h2-14H,1H3,(H,27,29)/b25-14-
InChIKeyKSPRGSYSDJHJNQ-QFEZKATASA-N
MW411.42 g/mol
LogP4.28
Rot. Bonds5

About N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide

N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 9078656) has the molecular formula C23H17N5O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID9078656
Molecular FormulaC23H17N5O3
Molecular Weight411.42 g/mol
Exact Mass411.13
IUPAC NameN-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCc1ccc(/C=N\NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C23H17N5O3/c1-15-9-10-16(12-22(15)28(30)31)14-25-27-23(29)18-13-21(20-8-4-5-11-24-20)26-19-7-3-2-6-17(18)19/h2-14H,1H3,(H,27,29)/b25-14-
InChIKeyKSPRGSYSDJHJNQ-QFEZKATASA-N
XLogP4.28
TPSA110.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 135730571
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 16959593
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078735
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 8973347
N-[(Z)-(4-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 137150933
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327017
3-hydroxy-N-[(4-methyl-3-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3883204
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327312
N-(3-phenylpropylideneamino)-2-pyridin-2-ylquinoline-4-carboxamide
CID 3304435
2-(4-bromophenyl)-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
CID 2337421
N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
2-(furan-2-yl)-N-[(E)-(2-methylphenyl)methylideneamino]quinoline-4-carboxamide
CID 6906616

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide (CID 9078656) is N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is Cc1ccc(/C=N\NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is KSPRGSYSDJHJNQ-QFEZKATASA-N. The full InChI is InChI=1S/C23H17N5O3/c1-15-9-10-16(12-22(15)28(30)31)14-25-27-23(29)18-13-21(20-8-4-5-11-24-20)26-19-7-3-2-6-17(18)19/h2-14H,1H3,(H,27,29)/b25-14-.
What are the key properties of N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 9078656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).