(3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone

C20H22N4O2 — CID 169227035

IUPAC(3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nc(N)c2cc3c(nc21)CC(C)(C)CC3
InChIInChI=1S/C20H22N4O2/c1-20(2)9-8-12-10-14-17(21)23-24(18(14)22-15(12)11-20)19(25)13-6-4-5-7-16(13)26-3/h4-7,10H,8-9,11H2,1-3H3,(H2,21,23)
InChIKeyUUBQBTCNNLZBHQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.23
Rot. Bonds2

About (3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone

(3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone (PubChem CID 169227035) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone
PubChem CID169227035
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)n1nc(N)c2cc3c(nc21)CC(C)(C)CC3
InChIInChI=1S/C20H22N4O2/c1-20(2)9-8-12-10-14-17(21)23-24(18(14)22-15(12)11-20)19(25)13-6-4-5-7-16(13)26-3/h4-7,10H,8-9,11H2,1-3H3,(H2,21,23)
InChIKeyUUBQBTCNNLZBHQ-UHFFFAOYSA-N
XLogP3.23
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone with MolForge

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Related Compounds

[3-amino-6-(2-azabicyclo[2.2.1]heptan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-(2-methoxyphenyl)methanone
CID 164597744
(5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
CID 140701373
(3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
CID 140701374
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
(6-amino-4,11-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1,3(7),5,8-tetraen-5-yl)-(2-methoxyphenyl)methanone
CID 68911535
2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone
CID 141242796
(4-hydroxy-4-methylazepan-1-yl)-(2-methoxyphenyl)methanone
CID 107406615
2,3-dihydro-1-benzofuran-5-yl-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110814974
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 115269834
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
(7-amino-2,3-dihydro-1,4-benzodiazepin-1-yl)-(2-methoxyphenyl)methanone
CID 91673348
(1-hydroxycycloheptyl)-(2-methoxyphenyl)methanone
CID 103450061

Frequently Asked Questions

What is the IUPAC name of (3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone (CID 169227035) is (3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)n1nc(N)c2cc3c(nc21)CC(C)(C)CC3.
What is the InChIKey of (3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone?
The InChIKey is UUBQBTCNNLZBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-20(2)9-8-12-10-14-17(21)23-24(18(14)22-15(12)11-20)19(25)13-6-4-5-7-16(13)26-3/h4-7,10H,8-9,11H2,1-3H3,(H2,21,23).
What are the key properties of (3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone?
(3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone has a molecular weight of 350.42 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-7,7-dimethyl-6,8-dihydro-5H-pyrazolo[5,4-b]quinolin-1-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 169227035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).