(3-amino-7-methyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone

C19H20N4O2 — CID 164597761

IUPAC(3-amino-7-methyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nc(N)c2cc3c(nc21)CC(C)CC3
InChIInChI=1S/C19H20N4O2/c1-11-7-8-12-10-14-17(20)22-23(18(14)21-15(12)9-11)19(24)13-5-3-4-6-16(13)25-2/h3-6,10-11H,7-9H2,1-2H3,(H2,20,22)
InChIKeyQPTCOYRPKUBAOI-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.84
Rot. Bonds2

About (3-amino-7-methyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone

(3-amino-7-methyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone (PubChem CID 164597761) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (3-amino-7-methyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-7-methyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone
PubChem CID164597761
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(3-amino-7-methyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nc(N)c2cc3c(nc21)CC(C)CC3
InChIInChI=1S/C19H20N4O2/c1-11-7-8-12-10-14-17(20)22-23(18(14)21-15(12)9-11)19(24)13-5-3-4-6-16(13)25-2/h3-6,10-11H,7-9H2,1-2H3,(H2,20,22)
InChIKeyQPTCOYRPKUBAOI-UHFFFAOYSA-N
XLogP2.84
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-7-methyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (3-amino-7-methyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone (CID 164597761) is (3-amino-7-methyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-7-methyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-7-methyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)n1nc(N)c2cc3c(nc21)CC(C)CC3.
What is the InChIKey of (3-amino-7-methyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone?
The InChIKey is QPTCOYRPKUBAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-11-7-8-12-10-14-17(20)22-23(18(14)21-15(12)9-11)19(24)13-5-3-4-6-16(13)25-2/h3-6,10-11H,7-9H2,1-2H3,(H2,20,22).
What are the key properties of (3-amino-7-methyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone?
(3-amino-7-methyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone has a molecular weight of 336.40 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7-methyl-5,6,7,8-tetrahydropyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 164597761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).