2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide

C26H23N3O2 — CID 4504169

IUPAC2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCCCOc1ccc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C26H23N3O2/c1-2-16-31-21-14-12-19(13-15-21)18-27-29-26(30)23-17-25(20-8-4-3-5-9-20)28-24-11-7-6-10-22(23)24/h3-15,17-18H,2,16H2,1H3,(H,29,30)
InChIKeyDVHDGHNLSPSTGO-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.45
Rot. Bonds7

About 2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide

2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 4504169) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID4504169
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCCCOc1ccc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C26H23N3O2/c1-2-16-31-21-14-12-19(13-15-21)18-27-29-26(30)23-17-25(20-8-4-3-5-9-20)28-24-11-7-6-10-22(23)24/h3-15,17-18H,2,16H2,1H3,(H,29,30)
InChIKeyDVHDGHNLSPSTGO-UHFFFAOYSA-N
XLogP5.45
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590
2-(4-butoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]quinoline-4-carboxamide
CID 6873482
2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6879530
N-[(E)-[4-[(2R)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126048018
2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126042516
N-[(E)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049455
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6008188
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208
N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3318131
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide (CID 4504169) is 2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide is CCCOc1ccc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is DVHDGHNLSPSTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-2-16-31-21-14-12-19(13-15-21)18-27-29-26(30)23-17-25(20-8-4-3-5-9-20)28-24-11-7-6-10-22(23)24/h3-15,17-18H,2,16H2,1H3,(H,29,30).
What are the key properties of 2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide?
2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 5.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 4504169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).