1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one

C23H27N5O — CID 23442461

IUPAC1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one
SMILESCc1ccc2c(c1)c(=O)c1c(cnn1C)n2CCCN(C)CCc1ccccn1
InChIInChI=1S/C23H27N5O/c1-17-8-9-20-19(15-17)23(29)22-21(16-25-27(22)3)28(20)13-6-12-26(2)14-10-18-7-4-5-11-24-18/h4-5,7-9,11,15-16H,6,10,12-14H2,1-3H3
InChIKeyYUKQPVQAEPKODU-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.16
Rot. Bonds7

About 1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one

1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one (PubChem CID 23442461) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one.

Molecular Properties

Compound Name1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one
PubChem CID23442461
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one
SMILESCc1ccc2c(c1)c(=O)c1c(cnn1C)n2CCCN(C)CCc1ccccn1
InChIInChI=1S/C23H27N5O/c1-17-8-9-20-19(15-17)23(29)22-21(16-25-27(22)3)28(20)13-6-12-26(2)14-10-18-7-4-5-11-24-18/h4-5,7-9,11,15-16H,6,10,12-14H2,1-3H3
InChIKeyYUKQPVQAEPKODU-UHFFFAOYSA-N
XLogP3.16
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one?
The IUPAC name of 1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one (CID 23442461) is 1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one.
What is the SMILES notation for 1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one?
The canonical SMILES for 1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one is Cc1ccc2c(c1)c(=O)c1c(cnn1C)n2CCCN(C)CCc1ccccn1.
What is the InChIKey of 1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one?
The InChIKey is YUKQPVQAEPKODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17-8-9-20-19(15-17)23(29)22-21(16-25-27(22)3)28(20)13-6-12-26(2)14-10-18-7-4-5-11-24-18/h4-5,7-9,11,15-16H,6,10,12-14H2,1-3H3.
What are the key properties of 1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one?
1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one has a molecular weight of 389.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-4-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]pyrazolo[4,5-b]quinolin-9-one is sourced from PubChem (CID 23442461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).