7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine

C20H19ClN4 — CID 24805643

IUPAC7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine
SMILESClc1ccc2c(N/N=C/c3ccc(N4CCCC4)cc3)ccnc2c1
InChIInChI=1S/C20H19ClN4/c21-16-5-8-18-19(9-10-22-20(18)13-16)24-23-14-15-3-6-17(7-4-15)25-11-1-2-12-25/h3-10,13-14H,1-2,11-12H2,(H,22,24)/b23-14+
InChIKeyNGBCNTGBLZASGE-OEAKJJBVSA-N
MW350.85 g/mol
LogP4.93
Rot. Bonds4

About 7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine

7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine (PubChem CID 24805643) has the molecular formula C20H19ClN4 and a molecular weight of 350.85 g/mol. Its IUPAC name is 7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine
PubChem CID24805643
Molecular FormulaC20H19ClN4
Molecular Weight350.85 g/mol
Exact Mass350.13
IUPAC Name7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine
SMILESClc1ccc2c(N/N=C/c3ccc(N4CCCC4)cc3)ccnc2c1
InChIInChI=1S/C20H19ClN4/c21-16-5-8-18-19(9-10-22-20(18)13-16)24-23-14-15-3-6-17(7-4-15)25-11-1-2-12-25/h3-10,13-14H,1-2,11-12H2,(H,22,24)/b23-14+
InChIKeyNGBCNTGBLZASGE-OEAKJJBVSA-N
XLogP4.93
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.93
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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine (CID 24805643) is 7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine is Clc1ccc2c(N/N=C/c3ccc(N4CCCC4)cc3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine?
The InChIKey is NGBCNTGBLZASGE-OEAKJJBVSA-N. The full InChI is InChI=1S/C20H19ClN4/c21-16-5-8-18-19(9-10-22-20(18)13-16)24-23-14-15-3-6-17(7-4-15)25-11-1-2-12-25/h3-10,13-14H,1-2,11-12H2,(H,22,24)/b23-14+.
What are the key properties of 7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine?
7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine has a molecular weight of 350.85 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(E)-(4-pyrrolidin-1-ylphenyl)methylideneamino]quinolin-4-amine is sourced from PubChem (CID 24805643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).