N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide

C25H29N3O2 — CID 9499718

IUPACN-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide
SMILESCCCCCCCCOc1ccccc1/C=N\NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C25H29N3O2/c1-2-3-4-5-6-11-18-30-24-15-10-8-13-21(24)19-26-28-25(29)23-17-16-20-12-7-9-14-22(20)27-23/h7-10,12-17,19H,2-6,11,18H2,1H3,(H,28,29)/b26-19-
InChIKeyJXBOSYQTASGNEN-XHPQRKPJSA-N
MW403.53 g/mol
LogP5.74
Rot. Bonds11

About N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide

N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide (PubChem CID 9499718) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide
PubChem CID9499718
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide
SMILESCCCCCCCCOc1ccccc1/C=N\NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C25H29N3O2/c1-2-3-4-5-6-11-18-30-24-15-10-8-13-21(24)19-26-28-25(29)23-17-16-20-12-7-9-14-22(20)27-23/h7-10,12-17,19H,2-6,11,18H2,1H3,(H,28,29)/b26-19-
InChIKeyJXBOSYQTASGNEN-XHPQRKPJSA-N
XLogP5.74
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524880
3,4,5-trihexadecoxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide
CID 177489664
N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide
CID 1237546
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide
CID 3438844
N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110338477
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
N-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110339499
2-(4-chlorophenyl)-N-[(Z)-(2-heptoxyphenyl)methylideneamino]acetamide
CID 110515792
5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 3538780
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]quinoline-2-carboxamide
CID 3710730
4-(4-fluorophenyl)-N-[(E)-(2-heptoxyphenyl)methylideneamino]-2-oxo-1H-pyrimidine-6-carboxamide
CID 110525841

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide?
The IUPAC name of N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide (CID 9499718) is N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide is CCCCCCCCOc1ccccc1/C=N\NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide?
The InChIKey is JXBOSYQTASGNEN-XHPQRKPJSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-2-3-4-5-6-11-18-30-24-15-10-8-13-21(24)19-26-28-25(29)23-17-16-20-12-7-9-14-22(20)27-23/h7-10,12-17,19H,2-6,11,18H2,1H3,(H,28,29)/b26-19-.
What are the key properties of N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide?
N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 5.74, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide is sourced from PubChem (CID 9499718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).