N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide

C22H20N4O — CID 9078711

IUPACN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(N/N=C\[C@H]1CC=CCC1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C22H20N4O/c27-22(26-24-15-16-8-2-1-3-9-16)18-14-21(20-12-6-7-13-23-20)25-19-11-5-4-10-17(18)19/h1-2,4-7,10-16H,3,8-9H2,(H,26,27)/b24-15-/t16-/m0/s1
InChIKeyIZDQEPHWAVJLAN-PHQOBFFQSA-N
MW356.43 g/mol
LogP4.37
Rot. Bonds4

About N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide

N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 9078711) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID9078711
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(N/N=C\[C@H]1CC=CCC1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C22H20N4O/c27-22(26-24-15-16-8-2-1-3-9-16)18-14-21(20-12-6-7-13-23-20)25-19-11-5-4-10-17(18)19/h1-2,4-7,10-16H,3,8-9H2,(H,26,27)/b24-15-/t16-/m0/s1
InChIKeyIZDQEPHWAVJLAN-PHQOBFFQSA-N
XLogP4.37
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-(3-phenylpropylideneamino)-2-pyridin-2-ylquinoline-4-carboxamide
CID 3304435
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327017
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078735
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 135730571
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327312
2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 8007643
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078656
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 8973347
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide (CID 9078711) is N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is O=C(N/N=C\[C@H]1CC=CCC1)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is IZDQEPHWAVJLAN-PHQOBFFQSA-N. The full InChI is InChI=1S/C22H20N4O/c27-22(26-24-15-16-8-2-1-3-9-16)18-14-21(20-12-6-7-13-23-20)25-19-11-5-4-10-17(18)19/h1-2,4-7,10-16H,3,8-9H2,(H,26,27)/b24-15-/t16-/m0/s1.
What are the key properties of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 356.43 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-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 9078711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).