methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate

C23H23NO3 — CID 15052569

IUPACmethyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(OCc3ccc4ccccc4n3)cc2)CCCC1
InChIInChI=1S/C23H23NO3/c1-26-22(25)23(14-4-5-15-23)18-9-12-20(13-10-18)27-16-19-11-8-17-6-2-3-7-21(17)24-19/h2-3,6-13H,4-5,14-16H2,1H3
InChIKeyBUSFYXBMWBEWAT-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.80
Rot. Bonds5

About methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate

methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate (PubChem CID 15052569) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate
PubChem CID15052569
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Namemethyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(OCc3ccc4ccccc4n3)cc2)CCCC1
InChIInChI=1S/C23H23NO3/c1-26-22(25)23(14-4-5-15-23)18-9-12-20(13-10-18)27-16-19-11-8-17-6-2-3-7-21(17)24-19/h2-3,6-13H,4-5,14-16H2,1H3
InChIKeyBUSFYXBMWBEWAT-UHFFFAOYSA-N
XLogP4.80
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid
CID 57179781
methyl 1-[4-(pyridin-2-ylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 169171763
CID 67726997
CID 67726997
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
N-benzylsulfonyl-N-[1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentyl]acetamide
CID 57211535
4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]cyclohexan-1-ol
CID 10698227
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
(2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 14500249
methyl 3-cyclohexyl-2-[4-(quinolin-2-ylmethoxy)phenyl]propanoate;methyl 2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 161335113
methyl 4-hydroxy-4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]but-2-ynoate
CID 10579134
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate (CID 15052569) is methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate is COC(=O)C1(c2ccc(OCc3ccc4ccccc4n3)cc2)CCCC1.
What is the InChIKey of methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate?
The InChIKey is BUSFYXBMWBEWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-26-22(25)23(14-4-5-15-23)18-9-12-20(13-10-18)27-16-19-11-8-17-6-2-3-7-21(17)24-19/h2-3,6-13H,4-5,14-16H2,1H3.
What are the key properties of methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate?
methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 15052569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).