7-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]quinolin-4-amine

C14H11ClN4 — CID 135620586

IUPAC7-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]quinolin-4-amine
SMILESClc1ccc2c(N/N=C/c3ccc[nH]3)ccnc2c1
InChIInChI=1S/C14H11ClN4/c15-10-3-4-12-13(5-7-17-14(12)8-10)19-18-9-11-2-1-6-16-11/h1-9,16H,(H,17,19)/b18-9+
InChIKeyWPQNDVBRVHINRX-GIJQJNRQSA-N
MW270.72 g/mol
LogP3.66
Rot. Bonds3

About 7-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]quinolin-4-amine

7-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]quinolin-4-amine (PubChem CID 135620586) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 7-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]quinolin-4-amine
PubChem CID135620586
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name7-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]quinolin-4-amine
SMILESClc1ccc2c(N/N=C/c3ccc[nH]3)ccnc2c1
InChIInChI=1S/C14H11ClN4/c15-10-3-4-12-13(5-7-17-14(12)8-10)19-18-9-11-2-1-6-16-11/h1-9,16H,(H,17,19)/b18-9+
InChIKeyWPQNDVBRVHINRX-GIJQJNRQSA-N
XLogP3.66
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-1H-pyrrol-2-ylmethylideneamino]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]quinolin-4-amine (CID 135620586) is 7-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]quinolin-4-amine is Clc1ccc2c(N/N=C/c3ccc[nH]3)ccnc2c1.
What is the InChIKey of 7-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]quinolin-4-amine?
The InChIKey is WPQNDVBRVHINRX-GIJQJNRQSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-10-3-4-12-13(5-7-17-14(12)8-10)19-18-9-11-2-1-6-16-11/h1-9,16H,(H,17,19)/b18-9+.
What are the key properties of 7-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]quinolin-4-amine?
7-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]quinolin-4-amine has a molecular weight of 270.72 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(E)-1H-pyrrol-2-ylmethylideneamino]quinolin-4-amine is sourced from PubChem (CID 135620586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).