8-methyl-5-[2-[4-(quinolin-2-ylmethyl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one

C27H31N3O2 — CID 70116589

IUPAC8-methyl-5-[2-[4-(quinolin-2-ylmethyl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)c2c1NC(=O)CC2
InChIInChI=1S/C27H31N3O2/c1-19-6-10-25(23-9-11-26(31)29-27(19)23)32-17-16-30-14-12-20(13-15-30)18-22-8-7-21-4-2-3-5-24(21)28-22/h2-8,10,20H,9,11-18H2,1H3,(H,29,31)
InChIKeyLUGQJPZCCZCBAG-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.76
Rot. Bonds6

About 8-methyl-5-[2-[4-(quinolin-2-ylmethyl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one

8-methyl-5-[2-[4-(quinolin-2-ylmethyl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 70116589) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 8-methyl-5-[2-[4-(quinolin-2-ylmethyl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-5-[2-[4-(quinolin-2-ylmethyl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID70116589
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name8-methyl-5-[2-[4-(quinolin-2-ylmethyl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)c2c1NC(=O)CC2
InChIInChI=1S/C27H31N3O2/c1-19-6-10-25(23-9-11-26(31)29-27(19)23)32-17-16-30-14-12-20(13-15-30)18-22-8-7-21-4-2-3-5-24(21)28-22/h2-8,10,20H,9,11-18H2,1H3,(H,29,31)
InChIKeyLUGQJPZCCZCBAG-UHFFFAOYSA-N
XLogP4.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-[2-[4-(quinolin-2-ylmethyl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-methyl-5-[2-[4-(quinolin-2-ylmethyl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 70116589) is 8-methyl-5-[2-[4-(quinolin-2-ylmethyl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-5-[2-[4-(quinolin-2-ylmethyl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-5-[2-[4-(quinolin-2-ylmethyl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(OCCN2CCC(Cc3ccc4ccccc4n3)CC2)c2c1NC(=O)CC2.
What is the InChIKey of 8-methyl-5-[2-[4-(quinolin-2-ylmethyl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LUGQJPZCCZCBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-19-6-10-25(23-9-11-26(31)29-27(19)23)32-17-16-30-14-12-20(13-15-30)18-22-8-7-21-4-2-3-5-24(21)28-22/h2-8,10,20H,9,11-18H2,1H3,(H,29,31).
What are the key properties of 8-methyl-5-[2-[4-(quinolin-2-ylmethyl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
8-methyl-5-[2-[4-(quinolin-2-ylmethyl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 429.56 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-[2-[4-(quinolin-2-ylmethyl)piperidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 70116589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).