N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide

C22H18N4O — CID 9216686

IUPACN-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H18N4O/c27-22(26-25-21-12-15-4-3-6-16(15)21)18-13-20(14-8-10-23-11-9-14)24-19-7-2-1-5-17(18)19/h1-5,7-11,13,15-16H,6,12H2,(H,26,27)/b25-21-/t15-,16-/m0/s1
InChIKeyCQTDKWITIVRCOU-ZWQQDAMOSA-N
MW354.41 g/mol
LogP3.98
Rot. Bonds3

About N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide

N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 9216686) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID9216686
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H18N4O/c27-22(26-25-21-12-15-4-3-6-16(15)21)18-13-20(14-8-10-23-11-9-14)24-19-7-2-1-5-17(18)19/h1-5,7-11,13,15-16H,6,12H2,(H,26,27)/b25-21-/t15-,16-/m0/s1
InChIKeyCQTDKWITIVRCOU-ZWQQDAMOSA-N
XLogP3.98
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-2,3-dihydrochromen-4-ylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 9216689
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190
N-[(E)-(2-cyclopropylphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 166229028
N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7933716
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-pyridin-4-yl-N-[(Z)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
CID 5430588
1-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3-phenylurea
CID 9241684
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135907325
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55353125
N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
CID 25354662
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 119457455

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide (CID 9216686) is N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide is O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is CQTDKWITIVRCOU-ZWQQDAMOSA-N. The full InChI is InChI=1S/C22H18N4O/c27-22(26-25-21-12-15-4-3-6-16(15)21)18-13-20(14-8-10-23-11-9-14)24-19-7-2-1-5-17(18)19/h1-5,7-11,13,15-16H,6,12H2,(H,26,27)/b25-21-/t15-,16-/m0/s1.
What are the key properties of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 9216686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).