9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one

C19H20N4O2 — CID 169413087

IUPAC9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
SMILESCN(C)Cc1cc(C2CC(=O)Nc3ccc4cn[nH]c4c32)ccc1O
InChIInChI=1S/C19H20N4O2/c1-23(2)10-13-7-11(4-6-16(13)24)14-8-17(25)21-15-5-3-12-9-20-22-19(12)18(14)15/h3-7,9,14,24H,8,10H2,1-2H3,(H,20,22)(H,21,25)
InChIKeyQYCLIVDHXYXSGG-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.80
Rot. Bonds3

About 9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one

9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one (PubChem CID 169413087) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
PubChem CID169413087
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
SMILESCN(C)Cc1cc(C2CC(=O)Nc3ccc4cn[nH]c4c32)ccc1O
InChIInChI=1S/C19H20N4O2/c1-23(2)10-13-7-11(4-6-16(13)24)14-8-17(25)21-15-5-3-12-9-20-22-19(12)18(14)15/h3-7,9,14,24H,8,10H2,1-2H3,(H,20,22)(H,21,25)
InChIKeyQYCLIVDHXYXSGG-UHFFFAOYSA-N
XLogP2.80
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
CID 169414693
9-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
CID 169422035
9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
CID 170508995
4-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one;formic acid
CID 171339502
9-(1,3-thiazol-4-yl)-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
CID 169422093
4-(3-chloro-4-hydroxyphenyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135632846
(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673087
16-(3,4-dimethylphenyl)-3,4,10-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),4,7,11(15)-pentaen-14-one
CID 139214982
1-(4-fluorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2933284
(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2231068
4-(3-chloro-4-hydroxyphenyl)-3-cyclopropyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 169412534
7-(dimethylamino)-4-[3-[(dimethylamino)methyl]phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 170511743

Frequently Asked Questions

What is the IUPAC name of 9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
The IUPAC name of 9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one (CID 169413087) is 9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one.
What is the SMILES notation for 9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
The canonical SMILES for 9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one is CN(C)Cc1cc(C2CC(=O)Nc3ccc4cn[nH]c4c32)ccc1O.
What is the InChIKey of 9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
The InChIKey is QYCLIVDHXYXSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-23(2)10-13-7-11(4-6-16(13)24)14-8-17(25)21-15-5-3-12-9-20-22-19(12)18(14)15/h3-7,9,14,24H,8,10H2,1-2H3,(H,20,22)(H,21,25).
What are the key properties of 9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one has a molecular weight of 336.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one is sourced from PubChem (CID 169413087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).