3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium

C19H15ClN4V — CID 159527409

IUPAC3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium
SMILESCc1cc(Nc2nc(-c3ccccc3Cl)cc3ccccc23)n[nH]1.[V]
InChIInChI=1S/C19H15ClN4.V/c1-12-10-18(24-23-12)22-19-14-7-3-2-6-13(14)11-17(21-19)15-8-4-5-9-16(15)20;/h2-11H,1H3,(H2,21,22,23,24);
InChIKeyATECKKINAOBZEC-UHFFFAOYSA-N
MW385.75 g/mol
LogP5.33
Rot. Bonds3

About 3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium

3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium (PubChem CID 159527409) has the molecular formula C19H15ClN4V and a molecular weight of 385.75 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium
PubChem CID159527409
Molecular FormulaC19H15ClN4V
Molecular Weight385.75 g/mol
Exact Mass385.04
IUPAC Name3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium
SMILESCc1cc(Nc2nc(-c3ccccc3Cl)cc3ccccc23)n[nH]1.[V]
InChIInChI=1S/C19H15ClN4.V/c1-12-10-18(24-23-12)22-19-14-7-3-2-6-13(14)11-17(21-19)15-8-4-5-9-16(15)20;/h2-11H,1H3,(H2,21,22,23,24);
InChIKeyATECKKINAOBZEC-UHFFFAOYSA-N
XLogP5.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.75
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)sulfinyl-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine
CID 56929174
2-(2-chlorophenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10270356
2-benzyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
CID 11587983
5-[2-(dimethylamino)ethyl]-6-N-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylpyrimidine-4,6-diamine
CID 68949575
2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170946131
3-(1,3-benzothiazol-6-ylsulfanyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine
CID 20604068
2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine
CID 154453023
N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylsulfanylquinazolin-4-amine
CID 10134576
2-N-[(2,6-dichlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 72946513
4-(3-chlorophenyl)-3-N-(5-methyl-1H-pyrazol-3-yl)isoquinoline-1,3-diamine
CID 68857470
3-(2-chlorophenyl)-N-[(3E)-4-cyclopropylpenta-1,3-dien-2-yl]isoquinolin-1-amine
CID 142127706
7-chloro-2-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10155985

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium?
The IUPAC name of 3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium (CID 159527409) is 3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium?
The canonical SMILES for 3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium is Cc1cc(Nc2nc(-c3ccccc3Cl)cc3ccccc23)n[nH]1.[V].
What is the InChIKey of 3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium?
The InChIKey is ATECKKINAOBZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4.V/c1-12-10-18(24-23-12)22-19-14-7-3-2-6-13(14)11-17(21-19)15-8-4-5-9-16(15)20;/h2-11H,1H3,(H2,21,22,23,24);.
What are the key properties of 3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium?
3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium has a molecular weight of 385.75 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-1-amine;vanadium is sourced from PubChem (CID 159527409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).