8-[(E)-3-[di(propan-2-yl)amino]prop-1-enyl]-5-ethyl-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one

C24H34N4O2 — CID 11675934

IUPAC8-[(E)-3-[di(propan-2-yl)amino]prop-1-enyl]-5-ethyl-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCCn1c(=O)c2c(CCOC)[nH]nc2c2cc(/C=C/CN(C(C)C)C(C)C)ccc21
InChIInChI=1S/C24H34N4O2/c1-7-27-21-11-10-18(9-8-13-28(16(2)3)17(4)5)15-19(21)23-22(24(27)29)20(25-26-23)12-14-30-6/h8-11,15-17H,7,12-14H2,1-6H3,(H,25,26)/b9-8+
InChIKeyFDFDGCDCTUJIBS-CMDGGOBGSA-N
MW410.56 g/mol
LogP4.22
Rot. Bonds9

About 8-[(E)-3-[di(propan-2-yl)amino]prop-1-enyl]-5-ethyl-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one

8-[(E)-3-[di(propan-2-yl)amino]prop-1-enyl]-5-ethyl-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 11675934) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 8-[(E)-3-[di(propan-2-yl)amino]prop-1-enyl]-5-ethyl-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-[(E)-3-[di(propan-2-yl)amino]prop-1-enyl]-5-ethyl-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID11675934
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name8-[(E)-3-[di(propan-2-yl)amino]prop-1-enyl]-5-ethyl-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one
SMILESCCn1c(=O)c2c(CCOC)[nH]nc2c2cc(/C=C/CN(C(C)C)C(C)C)ccc21
InChIInChI=1S/C24H34N4O2/c1-7-27-21-11-10-18(9-8-13-28(16(2)3)17(4)5)15-19(21)23-22(24(27)29)20(25-26-23)12-14-30-6/h8-11,15-17H,7,12-14H2,1-6H3,(H,25,26)/b9-8+
InChIKeyFDFDGCDCTUJIBS-CMDGGOBGSA-N
XLogP4.22
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(E)-3-[di(propan-2-yl)amino]prop-1-enyl]-5-ethyl-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 8-[(E)-3-[di(propan-2-yl)amino]prop-1-enyl]-5-ethyl-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one (CID 11675934) is 8-[(E)-3-[di(propan-2-yl)amino]prop-1-enyl]-5-ethyl-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 8-[(E)-3-[di(propan-2-yl)amino]prop-1-enyl]-5-ethyl-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 8-[(E)-3-[di(propan-2-yl)amino]prop-1-enyl]-5-ethyl-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one is CCn1c(=O)c2c(CCOC)[nH]nc2c2cc(/C=C/CN(C(C)C)C(C)C)ccc21.
What is the InChIKey of 8-[(E)-3-[di(propan-2-yl)amino]prop-1-enyl]-5-ethyl-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is FDFDGCDCTUJIBS-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-7-27-21-11-10-18(9-8-13-28(16(2)3)17(4)5)15-19(21)23-22(24(27)29)20(25-26-23)12-14-30-6/h8-11,15-17H,7,12-14H2,1-6H3,(H,25,26)/b9-8+.
What are the key properties of 8-[(E)-3-[di(propan-2-yl)amino]prop-1-enyl]-5-ethyl-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one?
8-[(E)-3-[di(propan-2-yl)amino]prop-1-enyl]-5-ethyl-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 410.56 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-3-[di(propan-2-yl)amino]prop-1-enyl]-5-ethyl-3-(2-methoxyethyl)-2H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 11675934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).