6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline

C23H32N4O — CID 118354879

IUPAC6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline
SMILESc1cc2c(cc1-c1cnn(C3CCCCO3)c1)CCCN2CC1CCNCC1
InChIInChI=1S/C23H32N4O/c1-2-13-28-23(5-1)27-17-21(15-25-27)19-6-7-22-20(14-19)4-3-12-26(22)16-18-8-10-24-11-9-18/h6-7,14-15,17-18,23-24H,1-5,8-13,16H2
InChIKeyDMNKZWSZVOUKMU-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.00
Rot. Bonds4

About 6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline

6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline (PubChem CID 118354879) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline
PubChem CID118354879
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline
SMILESc1cc2c(cc1-c1cnn(C3CCCCO3)c1)CCCN2CC1CCNCC1
InChIInChI=1S/C23H32N4O/c1-2-13-28-23(5-1)27-17-21(15-25-27)19-6-7-22-20(14-19)4-3-12-26(22)16-18-8-10-24-11-9-18/h6-7,14-15,17-18,23-24H,1-5,8-13,16H2
InChIKeyDMNKZWSZVOUKMU-UHFFFAOYSA-N
XLogP4.00
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline (CID 118354879) is 6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline is c1cc2c(cc1-c1cnn(C3CCCCO3)c1)CCCN2CC1CCNCC1.
What is the InChIKey of 6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is DMNKZWSZVOUKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-2-13-28-23(5-1)27-17-21(15-25-27)19-6-7-22-20(14-19)4-3-12-26(22)16-18-8-10-24-11-9-18/h6-7,14-15,17-18,23-24H,1-5,8-13,16H2.
What are the key properties of 6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline?
6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 380.54 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 118354879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).