(6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

C20H20ClN3O2 — CID 46536259

IUPAC(6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H20ClN3O2/c1-14-18(12-15-11-16(21)4-5-19(15)22-14)20(25)24-8-6-23(7-9-24)13-17-3-2-10-26-17/h2-5,10-12H,6-9,13H2,1H3
InChIKeyVSIZJPLBVBLTNL-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.75
Rot. Bonds3

About (6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone

(6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 46536259) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is (6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID46536259
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name(6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESCc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C20H20ClN3O2/c1-14-18(12-15-11-16(21)4-5-19(15)22-14)20(25)24-8-6-23(7-9-24)13-17-3-2-10-26-17/h2-5,10-12H,6-9,13H2,1H3
InChIKeyVSIZJPLBVBLTNL-UHFFFAOYSA-N
XLogP3.75
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-chloro-2-methylquinolin-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 41337289
3-(4-ethylpiperazine-1-carbonyl)-6-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridin-5-one
CID 46339897
(4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone
CID 19572522
(4-chloro-1-methylpyrrol-2-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 56810671
[4-(6-chloro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46413333
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19515009
[3-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-methylpyrazol-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 29097638
[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 46547011
[4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 131913262
(2-chloro-6-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 17249437
[4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 46684636
(2-bromo-5-methoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46684611

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (CID 46536259) is (6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of (6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is VSIZJPLBVBLTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-18(12-15-11-16(21)4-5-19(15)22-14)20(25)24-8-6-23(7-9-24)13-17-3-2-10-26-17/h2-5,10-12H,6-9,13H2,1H3.
What are the key properties of (6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
(6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 369.85 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46536259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).