2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol

C20H17F2N3O — CID 155151980

IUPAC2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol
SMILESCCCc1c(-c2ccc(O)c(F)c2F)nc2ccc3[nH]ncc3c2c1C
InChIInChI=1S/C20H17F2N3O/c1-3-4-11-10(2)17-13-9-23-25-14(13)6-7-15(17)24-20(11)12-5-8-16(26)19(22)18(12)21/h5-9,26H,3-4H2,1-2H3,(H,23,25)
InChIKeyRCAPRZGGWMFSQD-UHFFFAOYSA-N
MW353.37 g/mol
LogP5.02
Rot. Bonds3

About 2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol

2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol (PubChem CID 155151980) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is 2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol.

Molecular Properties

Compound Name2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol
PubChem CID155151980
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol
SMILESCCCc1c(-c2ccc(O)c(F)c2F)nc2ccc3[nH]ncc3c2c1C
InChIInChI=1S/C20H17F2N3O/c1-3-4-11-10(2)17-13-9-23-25-14(13)6-7-15(17)24-20(11)12-5-8-16(26)19(22)18(12)21/h5-9,26H,3-4H2,1-2H3,(H,23,25)
InChIKeyRCAPRZGGWMFSQD-UHFFFAOYSA-N
XLogP5.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.37
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indazol-4-yl)-5-(pyridin-3-ylamino)phenol
CID 15604054
3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol
CID 142445494
[7-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-8,9,10,11-tetrahydro-2H-pyrazolo[4,3-a]phenanthridin-1-yl]methanol
CID 153521568
[2-methoxy-5-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid
CID 153521574
4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]phenol
CID 86766658
US10022376, Example 121
CID 136215114
US10435405, Example 48
CID 137276839
[2-methoxy-3-(8-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenyl]boronic acid
CID 155558093
3-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-4-yl]phenol
CID 155569518
N-(3-methoxyphenyl)-7-methyl-3H-pyrazolo[4,5-f]quinolin-9-amine
CID 10447760
4-(8-fluoro-1H-pyrazolo[4,3-c]quinolin-3-yl)phenyl methyl ether
CID 16027437
[3-[9-(3,5-difluorophenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]-2-methoxyphenyl]boronic acid
CID 155542862

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol?
The IUPAC name of 2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol (CID 155151980) is 2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol.
What is the SMILES notation for 2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol?
The canonical SMILES for 2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol is CCCc1c(-c2ccc(O)c(F)c2F)nc2ccc3[nH]ncc3c2c1C.
What is the InChIKey of 2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol?
The InChIKey is RCAPRZGGWMFSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-3-4-11-10(2)17-13-9-23-25-14(13)6-7-15(17)24-20(11)12-5-8-16(26)19(22)18(12)21/h5-9,26H,3-4H2,1-2H3,(H,23,25).
What are the key properties of 2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol?
2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol has a molecular weight of 353.37 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(9-methyl-8-propyl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol is sourced from PubChem (CID 155151980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).