[1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone

C19H18ClN3O2 — CID 23725741

IUPAC[1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncco1)C1CCN(Cc2ccc3cccc(Cl)c3n2)CC1
InChIInChI=1S/C19H18ClN3O2/c20-16-3-1-2-13-4-5-15(22-17(13)16)12-23-9-6-14(7-10-23)18(24)19-21-8-11-25-19/h1-5,8,11,14H,6-7,9-10,12H2
InChIKeyLRQRDVZWEHLQJD-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.97
Rot. Bonds4

About [1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone

[1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone (PubChem CID 23725741) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.82 g/mol. Its IUPAC name is [1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
PubChem CID23725741
Molecular FormulaC19H18ClN3O2
Molecular Weight355.82 g/mol
Exact Mass355.11
IUPAC Name[1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
SMILESO=C(c1ncco1)C1CCN(Cc2ccc3cccc(Cl)c3n2)CC1
InChIInChI=1S/C19H18ClN3O2/c20-16-3-1-2-13-4-5-15(22-17(13)16)12-23-9-6-14(7-10-23)18(24)19-21-8-11-25-19/h1-5,8,11,14H,6-7,9-10,12H2
InChIKeyLRQRDVZWEHLQJD-UHFFFAOYSA-N
XLogP3.97
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone?
The IUPAC name of [1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone (CID 23725741) is [1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone?
The canonical SMILES for [1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone is O=C(c1ncco1)C1CCN(Cc2ccc3cccc(Cl)c3n2)CC1.
What is the InChIKey of [1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone?
The InChIKey is LRQRDVZWEHLQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-16-3-1-2-13-4-5-15(22-17(13)16)12-23-9-6-14(7-10-23)18(24)19-21-8-11-25-19/h1-5,8,11,14H,6-7,9-10,12H2.
What are the key properties of [1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone?
[1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone has a molecular weight of 355.82 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 23725741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).