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

C19H18N4O — CID 9078554

IUPACN-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCC/C(C)=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C19H18N4O/c1-3-13(2)22-23-19(24)16-11-18(14-7-6-10-20-12-14)21-17-9-5-4-8-15(16)17/h4-12H,3H2,1-2H3,(H,23,24)/b22-13-
InChIKeyOJFHNQLJXNGRMS-XKZIYDEJSA-N
MW318.38 g/mol
LogP3.81
Rot. Bonds4

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

N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 9078554) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID9078554
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCC/C(C)=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C19H18N4O/c1-3-13(2)22-23-19(24)16-11-18(14-7-6-10-20-12-14)21-17-9-5-4-8-15(16)17/h4-12H,3H2,1-2H3,(H,23,24)/b22-13-
InChIKeyOJFHNQLJXNGRMS-XKZIYDEJSA-N
XLogP3.81
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.81
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-[1-(furan-2-yl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4687807
N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 7933434
N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4694326
2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
CID 3731183
2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
CID 25237307
N-[(4-methylphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2082865
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
N-(2-hydroxy-2,3-dimethylbutyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 111483666

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (CID 9078554) is N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is CC/C(C)=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is OJFHNQLJXNGRMS-XKZIYDEJSA-N. The full InChI is InChI=1S/C19H18N4O/c1-3-13(2)22-23-19(24)16-11-18(14-7-6-10-20-12-14)21-17-9-5-4-8-15(16)17/h4-12H,3H2,1-2H3,(H,23,24)/b22-13-.
What are the key properties of N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 9078554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).