[4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone

C18H23N3O — CID 119646450

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone
SMILESCCNCC1CCN(C(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C18H23N3O/c1-2-19-13-14-8-11-21(12-9-14)18(22)16-7-3-5-15-6-4-10-20-17(15)16/h3-7,10,14,19H,2,8-9,11-13H2,1H3
InChIKeyRQHSFYQIBNVMTF-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.70
Rot. Bonds4

About [4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone

[4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone (PubChem CID 119646450) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone
PubChem CID119646450
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone
SMILESCCNCC1CCN(C(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C18H23N3O/c1-2-19-13-14-8-11-21(12-9-14)18(22)16-7-3-5-15-6-4-10-20-17(15)16/h3-7,10,14,19H,2,8-9,11-13H2,1H3
InChIKeyRQHSFYQIBNVMTF-UHFFFAOYSA-N
XLogP2.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylamino)piperidin-1-yl]-quinolin-8-ylmethanone
CID 62851096
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119562051
(4-aminopiperidin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119375001
[4-(ethylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119645672
[4-(ethylaminomethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 80552354
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990230
[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81477977
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone
CID 115966148
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
[2-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646664

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone (CID 119646450) is [4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone is CCNCC1CCN(C(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone?
The InChIKey is RQHSFYQIBNVMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-19-13-14-8-11-21(12-9-14)18(22)16-7-3-5-15-6-4-10-20-17(15)16/h3-7,10,14,19H,2,8-9,11-13H2,1H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone?
[4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone has a molecular weight of 297.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone is sourced from PubChem (CID 119646450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).