N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide

C26H18N4O — CID 9078505

IUPACN-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(N/N=C\c1ccc2ccccc2c1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C26H18N4O/c31-26(30-28-16-18-11-12-19-6-1-2-7-20(19)14-18)23-15-25(21-8-5-13-27-17-21)29-24-10-4-3-9-22(23)24/h1-17H,(H,30,31)/b28-16-
InChIKeyIVCIZKYQZQYBTQ-NTFVMDSBSA-N
MW402.46 g/mol
LogP5.21
Rot. Bonds4

About N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide

N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 9078505) has the molecular formula C26H18N4O and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID9078505
Molecular FormulaC26H18N4O
Molecular Weight402.46 g/mol
Exact Mass402.15
IUPAC NameN-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(N/N=C\c1ccc2ccccc2c1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C26H18N4O/c31-26(30-28-16-18-11-12-19-6-1-2-7-20(19)14-18)23-15-25(21-8-5-13-27-17-21)29-24-10-4-3-9-22(23)24/h1-17H,(H,30,31)/b28-16-
InChIKeyIVCIZKYQZQYBTQ-NTFVMDSBSA-N
XLogP5.21
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 55.21
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-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078588
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3477696
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-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4618882
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851
N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4306797
N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049455
N-[(2-methyl-1H-indol-3-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2325178

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (CID 9078505) is N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is O=C(N/N=C\c1ccc2ccccc2c1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is IVCIZKYQZQYBTQ-NTFVMDSBSA-N. The full InChI is InChI=1S/C26H18N4O/c31-26(30-28-16-18-11-12-19-6-1-2-7-20(19)14-18)23-15-25(21-8-5-13-27-17-21)29-24-10-4-3-9-22(23)24/h1-17H,(H,30,31)/b28-16-.
What are the key properties of N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 9078505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).