1-chloro-4-quinolin-6-ylphthalazine

C17H10ClN3 — CID 81230738

IUPAC1-chloro-4-quinolin-6-ylphthalazine
SMILESClc1nnc(-c2ccc3ncccc3c2)c2ccccc12
InChIInChI=1S/C17H10ClN3/c18-17-14-6-2-1-5-13(14)16(20-21-17)12-7-8-15-11(10-12)4-3-9-19-15/h1-10H
InChIKeyCEXPQKQAENOHDC-UHFFFAOYSA-N
MW291.74 g/mol
LogP4.50
Rot. Bonds1

About 1-chloro-4-quinolin-6-ylphthalazine

1-chloro-4-quinolin-6-ylphthalazine (PubChem CID 81230738) has the molecular formula C17H10ClN3 and a molecular weight of 291.74 g/mol. Its IUPAC name is 1-chloro-4-quinolin-6-ylphthalazine.

Molecular Properties

Compound Name1-chloro-4-quinolin-6-ylphthalazine
PubChem CID81230738
Molecular FormulaC17H10ClN3
Molecular Weight291.74 g/mol
Exact Mass291.06
IUPAC Name1-chloro-4-quinolin-6-ylphthalazine
SMILESClc1nnc(-c2ccc3ncccc3c2)c2ccccc12
InChIInChI=1S/C17H10ClN3/c18-17-14-6-2-1-5-13(14)16(20-21-17)12-7-8-15-11(10-12)4-3-9-19-15/h1-10H
InChIKeyCEXPQKQAENOHDC-UHFFFAOYSA-N
XLogP4.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-chloro-4-quinolin-6-ylphthalazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-quinolin-7-ylphthalazin-1-amine
CID 81227899
6-(6-chloropyridazin-3-yl)quinoline
CID 81221489
2-chloro-7-quinolin-6-ylquinoline
CID 176598696
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 122427591
N,4,5-trimethyl-6-quinolin-6-ylpyridazin-3-amine
CID 81221120
6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline
CID 81230739
6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline
CID 144554033
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-2-pyridinyl]quinoline
CID 122416232
3-amino-5-(4-chloro-3-fluorophenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430735
6-(1H-azirin-2-yl)quinoline
CID 146540612
4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine
CID 142505072
4-quinolin-6-yl-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
CID 59319139

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-quinolin-6-ylphthalazine?
The IUPAC name of 1-chloro-4-quinolin-6-ylphthalazine (CID 81230738) is 1-chloro-4-quinolin-6-ylphthalazine.
What is the SMILES notation for 1-chloro-4-quinolin-6-ylphthalazine?
The canonical SMILES for 1-chloro-4-quinolin-6-ylphthalazine is Clc1nnc(-c2ccc3ncccc3c2)c2ccccc12.
What is the InChIKey of 1-chloro-4-quinolin-6-ylphthalazine?
The InChIKey is CEXPQKQAENOHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3/c18-17-14-6-2-1-5-13(14)16(20-21-17)12-7-8-15-11(10-12)4-3-9-19-15/h1-10H.
What are the key properties of 1-chloro-4-quinolin-6-ylphthalazine?
1-chloro-4-quinolin-6-ylphthalazine has a molecular weight of 291.74 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-quinolin-6-ylphthalazine is sourced from PubChem (CID 81230738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).