(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C15H15ClN4O — CID 62248839

IUPAC(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESNNc1ccc(Cl)c(C(=O)N2CCc3ccccc3C2)n1
InChIInChI=1S/C15H15ClN4O/c16-12-5-6-13(19-17)18-14(12)15(21)20-8-7-10-3-1-2-4-11(10)9-20/h1-6H,7-9,17H2,(H,18,19)
InChIKeyQDLSLVVZYXUTOR-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.22
Rot. Bonds2

About (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 62248839) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID62248839
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESNNc1ccc(Cl)c(C(=O)N2CCc3ccccc3C2)n1
InChIInChI=1S/C15H15ClN4O/c16-12-5-6-13(19-17)18-14(12)15(21)20-8-7-10-3-1-2-4-11(10)9-20/h1-6H,7-9,17H2,(H,18,19)
InChIKeyQDLSLVVZYXUTOR-UHFFFAOYSA-N
XLogP2.22
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone
CID 62248838
azocan-1-yl-(3-chloro-6-hydrazinyl-2-pyridinyl)methanone
CID 55052791
(4-chloro-1-methylpyrazol-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 728261
(2-chloro-5-sulfanylphenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 107020838
(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103538715
3,4-dihydro-1H-isoquinolin-2-yl-(2-hydrazinyl-3-pyridinyl)methanone
CID 62248301
3,4-dihydro-1H-isoquinolin-2-yl-(4-hydrazinylphenyl)methanone
CID 62249019
(5-aminothiadiazol-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 117214807
3,4-dihydro-1H-isoquinolin-2-yl-(3-fluoro-2-hydrazinylphenyl)methanone
CID 62661303
(3-chloro-6-hydrazinyl-2-pyridinyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone
CID 112734555
(3-chloro-6-hydrazinyl-2-pyridinyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 114086990
(3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62247878

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 62248839) is (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is NNc1ccc(Cl)c(C(=O)N2CCc3ccccc3C2)n1.
What is the InChIKey of (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is QDLSLVVZYXUTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-12-5-6-13(19-17)18-14(12)15(21)20-8-7-10-3-1-2-4-11(10)9-20/h1-6H,7-9,17H2,(H,18,19).
What are the key properties of (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 302.77 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 62248839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).