2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide

C26H23N3O2 — CID 126042516

IUPAC2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCC(C)Oc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C26H23N3O2/c1-18(2)31-21-14-12-19(13-15-21)17-27-29-26(30)23-16-25(20-8-4-3-5-9-20)28-24-11-7-6-10-22(23)24/h3-18H,1-2H3,(H,29,30)/b27-17+
InChIKeyKKCCJZCXBXPEGT-WPWMEQJKSA-N
MW409.49 g/mol
LogP5.45
Rot. Bonds6

About 2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide

2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 126042516) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID126042516
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCC(C)Oc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C26H23N3O2/c1-18(2)31-21-14-12-19(13-15-21)17-27-29-26(30)23-16-25(20-8-4-3-5-9-20)28-24-11-7-6-10-22(23)24/h3-18H,1-2H3,(H,29,30)/b27-17+
InChIKeyKKCCJZCXBXPEGT-WPWMEQJKSA-N
XLogP5.45
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.45
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-[(E)-[4-[(2R)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126048018
2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4505042
N-[(Z)-(3-bromo-4-propan-2-yloxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126043451
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590
2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169
2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6879530
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3477696
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide (CID 126042516) is 2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide is CC(C)Oc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is KKCCJZCXBXPEGT-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-18(2)31-21-14-12-19(13-15-21)17-27-29-26(30)23-16-25(20-8-4-3-5-9-20)28-24-11-7-6-10-22(23)24/h3-18H,1-2H3,(H,29,30)/b27-17+.
What are the key properties of 2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide?
2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 126042516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).