(4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione

C19H17N3O3S — CID 27881986

IUPAC(4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
SMILESCc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3[nH][nH]c(=O)c32)s1
InChIInChI=1S/C19H17N3O3S/c1-9-4-5-14(26-9)16-15-11(20-18-17(16)19(24)22-21-18)7-10(8-12(15)23)13-3-2-6-25-13/h2-6,10,16H,7-8H2,1H3,(H3,20,21,22,24)/t10-,16-/m1/s1
InChIKeyCFXVDCWPURRYCX-QLJPJBMISA-N
MW367.43 g/mol
LogP3.62
Rot. Bonds2

About (4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione

(4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione (PubChem CID 27881986) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is (4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione.

Molecular Properties

Compound Name(4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
PubChem CID27881986
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name(4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
SMILESCc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3[nH][nH]c(=O)c32)s1
InChIInChI=1S/C19H17N3O3S/c1-9-4-5-14(26-9)16-15-11(20-18-17(16)19(24)22-21-18)7-10(8-12(15)23)13-3-2-6-25-13/h2-6,10,16H,7-8H2,1H3,(H3,20,21,22,24)/t10-,16-/m1/s1
InChIKeyCFXVDCWPURRYCX-QLJPJBMISA-N
XLogP3.62
TPSA90.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione with MolForge

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Related Compounds

[(2S)-oxolan-2-yl]methyl (4R,7R)-7-(furan-2-yl)-2-methyl-4-(5-methylthiophen-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 6554671
4-[(5R,8S)-8-(furan-2-yl)-2,4,6-trioxo-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-5-yl]benzoic acid
CID 27881692
4-(3-methylthiophen-2-yl)-7-thiophen-2-yl-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 71950255
(4S,7R)-4-(4-chlorophenyl)-7-(furan-2-yl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one
CID 135913484
4-(4-chlorophenyl)-7-(furan-2-yl)-3-methyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-one
CID 135646151
(4R,7S)-7-(3,4-dimethoxyphenyl)-4-(5-methylfuran-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 27881758
4-(4-hydroxyphenyl)-7-thiophen-2-yl-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 71950242
(6R,9R)-6,9-bis(furan-2-yl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 743140
4-(3,4-dimethoxyphenyl)-7-thiophen-2-yl-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 71950230
(6R,9S)-6-(furan-2-yl)-2-methyl-9-thiophen-2-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135937616
methyl (4S,7S)-7-(furan-2-yl)-4-(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1094593
methyl (4R,7S)-4-(2-bromophenyl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1305416

Frequently Asked Questions

What is the IUPAC name of (4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione?
The IUPAC name of (4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione (CID 27881986) is (4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione.
What is the SMILES notation for (4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione?
The canonical SMILES for (4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione is Cc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3[nH][nH]c(=O)c32)s1.
What is the InChIKey of (4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione?
The InChIKey is CFXVDCWPURRYCX-QLJPJBMISA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-9-4-5-14(26-9)16-15-11(20-18-17(16)19(24)22-21-18)7-10(8-12(15)23)13-3-2-6-25-13/h2-6,10,16H,7-8H2,1H3,(H3,20,21,22,24)/t10-,16-/m1/s1.
What are the key properties of (4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione?
(4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione has a molecular weight of 367.43 g/mol, XLogP of 3.62, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R)-7-(furan-2-yl)-4-(5-methylthiophen-2-yl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione is sourced from PubChem (CID 27881986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).