3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid

C20H19N3O3 — CID 167803005

IUPAC3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid
SMILESCc1c(/C=C/c2c3c(nn2C)CCOC3)nc2ccccc2c1C(=O)O
InChIInChI=1S/C20H19N3O3/c1-12-15(21-16-6-4-3-5-13(16)19(12)20(24)25)7-8-18-14-11-26-10-9-17(14)22-23(18)2/h3-8H,9-11H2,1-2H3,(H,24,25)/b8-7+
InChIKeySNJSHRLXFUGVFQ-BQYQJAHWSA-N
MW349.39 g/mol
LogP3.22
Rot. Bonds3

About 3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid

3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid (PubChem CID 167803005) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid
PubChem CID167803005
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid
SMILESCc1c(/C=C/c2c3c(nn2C)CCOC3)nc2ccccc2c1C(=O)O
InChIInChI=1S/C20H19N3O3/c1-12-15(21-16-6-4-3-5-13(16)19(12)20(24)25)7-8-18-14-11-26-10-9-17(14)22-23(18)2/h3-8H,9-11H2,1-2H3,(H,24,25)/b8-7+
InChIKeySNJSHRLXFUGVFQ-BQYQJAHWSA-N
XLogP3.22
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid with MolForge

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Related Compounds

3-methyl-2-[(E)-2-phenylethenyl]quinoline-4-carboxylic acid
CID 84819262
2-[(E)-2-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethenyl]-3-methylquinoline-4-carboxylic acid
CID 75401985
7-hydroxy-3,4-dihydro-1H-pyrano[4,3-b]quinoline-10-carboxylic acid
CID 136968132
N-(3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-yl)cyclopropanecarboxamide
CID 167911317
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
2,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 64775542
(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 154569768
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
3-ethoxycarbonyl-1,2,4,5-tetrahydroazepino[4,5-b]quinoline-11-carboxylic acid
CID 152744887
morpholin-4-yl(1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-yl)methanone
CID 58440618
2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 933509

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid (CID 167803005) is 3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid is Cc1c(/C=C/c2c3c(nn2C)CCOC3)nc2ccccc2c1C(=O)O.
What is the InChIKey of 3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid?
The InChIKey is SNJSHRLXFUGVFQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12-15(21-16-6-4-3-5-13(16)19(12)20(24)25)7-8-18-14-11-26-10-9-17(14)22-23(18)2/h3-8H,9-11H2,1-2H3,(H,24,25)/b8-7+.
What are the key properties of 3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid?
3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(E)-2-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 167803005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).