(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

C21H27N3O — CID 119645943

IUPAC(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1
InChIInChI=1S/C21H27N3O/c1-2-22-14-15-9-11-24(12-10-15)21(25)18-13-20(16-7-8-16)23-19-6-4-3-5-17(18)19/h3-6,13,15-16,22H,2,7-12,14H2,1H3
InChIKeyOSBGYYIADYSEGJ-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.57
Rot. Bonds5

About (2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119645943) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID119645943
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1
InChIInChI=1S/C21H27N3O/c1-2-22-14-15-9-11-24(12-10-15)21(25)18-13-20(16-7-8-16)23-19-6-4-3-5-17(18)19/h3-6,13,15-16,22H,2,7-12,14H2,1H3
InChIKeyOSBGYYIADYSEGJ-UHFFFAOYSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cyclopropylquinolin-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540094
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone
CID 119646409
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78794847
2-[4-(2-cyclopropylquinoline-4-carbonyl)piperazin-1-yl]-N,N-diethylacetamide
CID 39488256
2-[1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidin-4-yl]acetic acid
CID 120515547
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119544927
(2-cyclopropylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;dihydrochloride
CID 119636803
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647191
(2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone
CID 17473888

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 119645943) is (2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1.
What is the InChIKey of (2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is OSBGYYIADYSEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-22-14-15-9-11-24(12-10-15)21(25)18-13-20(16-7-8-16)23-19-6-4-3-5-17(18)19/h3-6,13,15-16,22H,2,7-12,14H2,1H3.
What are the key properties of (2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 337.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119645943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).