9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one

C19H20N4O — CID 170508995

IUPAC9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
SMILESCc1cc(N(C)C)ccc1C1CC(=O)Nc2ccc3cn[nH]c3c21
InChIInChI=1S/C19H20N4O/c1-11-8-13(23(2)3)5-6-14(11)15-9-17(24)21-16-7-4-12-10-20-22-19(12)18(15)16/h4-8,10,15H,9H2,1-3H3,(H,20,22)(H,21,24)
InChIKeySUWIZXOSNHONSF-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.41
Rot. Bonds2

About 9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one

9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one (PubChem CID 170508995) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one.

Molecular Properties

Compound Name9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
PubChem CID170508995
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one
SMILESCc1cc(N(C)C)ccc1C1CC(=O)Nc2ccc3cn[nH]c3c21
InChIInChI=1S/C19H20N4O/c1-11-8-13(23(2)3)5-6-14(11)15-9-17(24)21-16-7-4-12-10-20-22-19(12)18(15)16/h4-8,10,15H,9H2,1-3H3,(H,20,22)(H,21,24)
InChIKeySUWIZXOSNHONSF-UHFFFAOYSA-N
XLogP3.41
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
The IUPAC name of 9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one (CID 170508995) is 9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one.
What is the SMILES notation for 9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
The canonical SMILES for 9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one is Cc1cc(N(C)C)ccc1C1CC(=O)Nc2ccc3cn[nH]c3c21.
What is the InChIKey of 9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
The InChIKey is SUWIZXOSNHONSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-11-8-13(23(2)3)5-6-14(11)15-9-17(24)21-16-7-4-12-10-20-22-19(12)18(15)16/h4-8,10,15H,9H2,1-3H3,(H,20,22)(H,21,24).
What are the key properties of 9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one?
9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one has a molecular weight of 320.40 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(dimethylamino)-2-methylphenyl]-1,6,8,9-tetrahydropyrazolo[5,4-f]quinolin-7-one is sourced from PubChem (CID 170508995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).