1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline

C19H17N3 — CID 143179476

IUPAC1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline
SMILESCc1cccc(C)c1Cn1ncc2cc3ncccc3cc21
InChIInChI=1S/C19H17N3/c1-13-5-3-6-14(2)17(13)12-22-19-10-15-7-4-8-20-18(15)9-16(19)11-21-22/h3-11H,12H2,1-2H3
InChIKeyBTMLPTWGJHEPMK-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.25
Rot. Bonds2

About 1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline

1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline (PubChem CID 143179476) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline.

Molecular Properties

Compound Name1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline
PubChem CID143179476
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline
SMILESCc1cccc(C)c1Cn1ncc2cc3ncccc3cc21
InChIInChI=1S/C19H17N3/c1-13-5-3-6-14(2)17(13)12-22-19-10-15-7-4-8-20-18(15)9-16(19)11-21-22/h3-11H,12H2,1-2H3
InChIKeyBTMLPTWGJHEPMK-UHFFFAOYSA-N
XLogP4.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

iodoethane;6-methylquinoline
CID 160581758
6-methylquinoline
CID 7059
2,6,13,15,19,26,28,32,39-nonazadecacyclo[26.11.0.02,14.03,12.05,10.015,27.016,25.018,23.029,38.031,36]nonatriaconta-1(39),3(12),4,6,8,10,13,16(25),17,19,21,23,26,29(38),30,32,34,36-octadecaene
CID 129087589
5-chloro-1-[(4-chlorophenyl)methyl]-6-methylindazole
CID 46935408
ethane;1-ethylpyrazolo[4,5-b]pyridine
CID 164593450
N-ethyl-3-(indazol-1-ylmethyl)pyridin-2-amine
CID 55075437
6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindazole
CID 59148151
1-[(3,5-dimethylphenyl)methyl]indazol-6-amine
CID 54911286
2-(2-chloroethyl)-7-methyl-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 115553484
ethyl 3-(5-nitroindazol-1-yl)propanoate;quinoline
CID 158247616
7-methyl-6-[(Z)-prop-1-enyl]quinoline
CID 144659352
1-[(2,4-dichlorophenyl)methyl]pyrazolo[4,5-b]pyridine
CID 142719630

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline?
The IUPAC name of 1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline (CID 143179476) is 1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline.
What is the SMILES notation for 1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline?
The canonical SMILES for 1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline is Cc1cccc(C)c1Cn1ncc2cc3ncccc3cc21.
What is the InChIKey of 1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline?
The InChIKey is BTMLPTWGJHEPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-13-5-3-6-14(2)17(13)12-22-19-10-15-7-4-8-20-18(15)9-16(19)11-21-22/h3-11H,12H2,1-2H3.
What are the key properties of 1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline?
1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline has a molecular weight of 287.37 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylphenyl)methyl]pyrazolo[5,4-g]quinoline is sourced from PubChem (CID 143179476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).