4-[1-[(2-methylquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one

C23H27N3O2 — CID 143469823

IUPAC4-[1-[(2-methylquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one
SMILESCc1nc2ccccc2cc1CN1CCC(CCCC(=O)c2ncco2)CC1
InChIInChI=1S/C23H27N3O2/c1-17-20(15-19-6-2-3-7-21(19)25-17)16-26-12-9-18(10-13-26)5-4-8-22(27)23-24-11-14-28-23/h2-3,6-7,11,14-15,18H,4-5,8-10,12-13,16H2,1H3
InChIKeyPVJFVDKYQZWJHV-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.80
Rot. Bonds7

About 4-[1-[(2-methylquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one

4-[1-[(2-methylquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one (PubChem CID 143469823) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[1-[(2-methylquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one.

Molecular Properties

Compound Name4-[1-[(2-methylquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one
PubChem CID143469823
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name4-[1-[(2-methylquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one
SMILESCc1nc2ccccc2cc1CN1CCC(CCCC(=O)c2ncco2)CC1
InChIInChI=1S/C23H27N3O2/c1-17-20(15-19-6-2-3-7-21(19)25-17)16-26-12-9-18(10-13-26)5-4-8-22(27)23-24-11-14-28-23/h2-3,6-7,11,14-15,18H,4-5,8-10,12-13,16H2,1H3
InChIKeyPVJFVDKYQZWJHV-UHFFFAOYSA-N
XLogP4.80
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methylquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one?
The IUPAC name of 4-[1-[(2-methylquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one (CID 143469823) is 4-[1-[(2-methylquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one.
What is the SMILES notation for 4-[1-[(2-methylquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one?
The canonical SMILES for 4-[1-[(2-methylquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one is Cc1nc2ccccc2cc1CN1CCC(CCCC(=O)c2ncco2)CC1.
What is the InChIKey of 4-[1-[(2-methylquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one?
The InChIKey is PVJFVDKYQZWJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-20(15-19-6-2-3-7-21(19)25-17)16-26-12-9-18(10-13-26)5-4-8-22(27)23-24-11-14-28-23/h2-3,6-7,11,14-15,18H,4-5,8-10,12-13,16H2,1H3.
What are the key properties of 4-[1-[(2-methylquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one?
4-[1-[(2-methylquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one has a molecular weight of 377.49 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methylquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one is sourced from PubChem (CID 143469823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).