4-[9-methyl-1-[(1-methylpyrazol-3-yl)amino]-8-propyl-3H-pyrazolo[4,3-f]quinolin-7-yl]phenol

C24H24N6O — CID 155151924

IUPAC4-[9-methyl-1-[(1-methylpyrazol-3-yl)amino]-8-propyl-3H-pyrazolo[4,3-f]quinolin-7-yl]phenol
SMILESCCCc1c(-c2ccc(O)cc2)nc2ccc3[nH]nc(Nc4ccn(C)n4)c3c2c1C
InChIInChI=1S/C24H24N6O/c1-4-5-17-14(2)21-18(25-23(17)15-6-8-16(31)9-7-15)10-11-19-22(21)24(28-27-19)26-20-12-13-30(3)29-20/h6-13,31H,4-5H2,1-3H3,(H2,26,27,28,29)
InChIKeyMCKATXNYAGGWFU-UHFFFAOYSA-N
MW412.50 g/mol
LogP5.22
Rot. Bonds5

About 4-[9-methyl-1-[(1-methylpyrazol-3-yl)amino]-8-propyl-3H-pyrazolo[4,3-f]quinolin-7-yl]phenol

4-[9-methyl-1-[(1-methylpyrazol-3-yl)amino]-8-propyl-3H-pyrazolo[4,3-f]quinolin-7-yl]phenol (PubChem CID 155151924) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 4-[9-methyl-1-[(1-methylpyrazol-3-yl)amino]-8-propyl-3H-pyrazolo[4,3-f]quinolin-7-yl]phenol.

Molecular Properties

Compound Name4-[9-methyl-1-[(1-methylpyrazol-3-yl)amino]-8-propyl-3H-pyrazolo[4,3-f]quinolin-7-yl]phenol
PubChem CID155151924
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name4-[9-methyl-1-[(1-methylpyrazol-3-yl)amino]-8-propyl-3H-pyrazolo[4,3-f]quinolin-7-yl]phenol
SMILESCCCc1c(-c2ccc(O)cc2)nc2ccc3[nH]nc(Nc4ccn(C)n4)c3c2c1C
InChIInChI=1S/C24H24N6O/c1-4-5-17-14(2)21-18(25-23(17)15-6-8-16(31)9-7-15)10-11-19-22(21)24(28-27-19)26-20-12-13-30(3)29-20/h6-13,31H,4-5H2,1-3H3,(H2,26,27,28,29)
InChIKeyMCKATXNYAGGWFU-UHFFFAOYSA-N
XLogP5.22
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[9-methyl-1-[(1-methylpyrazol-3-yl)amino]-8-propyl-3H-pyrazolo[4,3-f]quinolin-7-yl]phenol?
The IUPAC name of 4-[9-methyl-1-[(1-methylpyrazol-3-yl)amino]-8-propyl-3H-pyrazolo[4,3-f]quinolin-7-yl]phenol (CID 155151924) is 4-[9-methyl-1-[(1-methylpyrazol-3-yl)amino]-8-propyl-3H-pyrazolo[4,3-f]quinolin-7-yl]phenol.
What is the SMILES notation for 4-[9-methyl-1-[(1-methylpyrazol-3-yl)amino]-8-propyl-3H-pyrazolo[4,3-f]quinolin-7-yl]phenol?
The canonical SMILES for 4-[9-methyl-1-[(1-methylpyrazol-3-yl)amino]-8-propyl-3H-pyrazolo[4,3-f]quinolin-7-yl]phenol is CCCc1c(-c2ccc(O)cc2)nc2ccc3[nH]nc(Nc4ccn(C)n4)c3c2c1C.
What is the InChIKey of 4-[9-methyl-1-[(1-methylpyrazol-3-yl)amino]-8-propyl-3H-pyrazolo[4,3-f]quinolin-7-yl]phenol?
The InChIKey is MCKATXNYAGGWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-4-5-17-14(2)21-18(25-23(17)15-6-8-16(31)9-7-15)10-11-19-22(21)24(28-27-19)26-20-12-13-30(3)29-20/h6-13,31H,4-5H2,1-3H3,(H2,26,27,28,29).
What are the key properties of 4-[9-methyl-1-[(1-methylpyrazol-3-yl)amino]-8-propyl-3H-pyrazolo[4,3-f]quinolin-7-yl]phenol?
4-[9-methyl-1-[(1-methylpyrazol-3-yl)amino]-8-propyl-3H-pyrazolo[4,3-f]quinolin-7-yl]phenol has a molecular weight of 412.50 g/mol, XLogP of 5.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-methyl-1-[(1-methylpyrazol-3-yl)amino]-8-propyl-3H-pyrazolo[4,3-f]quinolin-7-yl]phenol is sourced from PubChem (CID 155151924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).