3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione

C19H18N4O2 — CID 23154016

IUPAC3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione
SMILESCC(C)c1ccccc1-n1[nH]c2c(c1N)c(=O)[nH]c1cc(=O)ccc12
InChIInChI=1S/C19H18N4O2/c1-10(2)12-5-3-4-6-15(12)23-18(20)16-17(22-23)13-8-7-11(24)9-14(13)21-19(16)25/h3-10,22H,20H2,1-2H3,(H,21,25)
InChIKeyWLTOVGWKLMCHGA-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.87
Rot. Bonds2

About 3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione

3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione (PubChem CID 23154016) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione.

Molecular Properties

Compound Name3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione
PubChem CID23154016
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione
SMILESCC(C)c1ccccc1-n1[nH]c2c(c1N)c(=O)[nH]c1cc(=O)ccc12
InChIInChI=1S/C19H18N4O2/c1-10(2)12-5-3-4-6-15(12)23-18(20)16-17(22-23)13-8-7-11(24)9-14(13)21-19(16)25/h3-10,22H,20H2,1-2H3,(H,21,25)
InChIKeyWLTOVGWKLMCHGA-UHFFFAOYSA-N
XLogP2.87
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione
CID 23153976
3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione
CID 23154042
5-amino-2-(2-propan-2-ylphenyl)isoindole-1,3-dione
CID 11778411
6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione
CID 112598911
3-amino-1-(2-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 135122846
4-(2-propan-2-ylphenyl)morpholine-2,3-dione
CID 117005513
1-(2-propan-2-ylphenyl)piperazine-2,5-dione
CID 64955597
5-chloro-3-propan-2-yl-1H-quinolin-2-one
CID 138581131
3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one
CID 82513986
6-chloro-3-(2-propan-2-ylphenyl)-1H-benzimidazole-2-thione
CID 43659372
12-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4,7,9,11,15,18,20,22-nonaene-6,14-dione
CID 135482345
16-(2-propan-2-ylphenyl)-5-prop-1-ynyl-16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2(23),3,5,7,9,11(21),12,14(22),18-decaene-15,17-dione
CID 144936114

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione?
The IUPAC name of 3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione (CID 23154016) is 3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione.
What is the SMILES notation for 3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione?
The canonical SMILES for 3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione is CC(C)c1ccccc1-n1[nH]c2c(c1N)c(=O)[nH]c1cc(=O)ccc12.
What is the InChIKey of 3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione?
The InChIKey is WLTOVGWKLMCHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-10(2)12-5-3-4-6-15(12)23-18(20)16-17(22-23)13-8-7-11(24)9-14(13)21-19(16)25/h3-10,22H,20H2,1-2H3,(H,21,25).
What are the key properties of 3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione?
3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione has a molecular weight of 334.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione is sourced from PubChem (CID 23154016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).