2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid

C25H27NO3 — CID 57179781

IUPAC2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid
SMILESO=C(O)CC1(c2ccc(OCc3ccc4ccccc4n3)cc2)CCCCCC1
InChIInChI=1S/C25H27NO3/c27-24(28)17-25(15-5-1-2-6-16-25)20-10-13-22(14-11-20)29-18-21-12-9-19-7-3-4-8-23(19)26-21/h3-4,7-14H,1-2,5-6,15-18H2,(H,27,28)
InChIKeyYLDVCEUJTLCMPX-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.88
Rot. Bonds6

About 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid

2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid (PubChem CID 57179781) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid
PubChem CID57179781
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid
SMILESO=C(O)CC1(c2ccc(OCc3ccc4ccccc4n3)cc2)CCCCCC1
InChIInChI=1S/C25H27NO3/c27-24(28)17-25(15-5-1-2-6-16-25)20-10-13-22(14-11-20)29-18-21-12-9-19-7-3-4-8-23(19)26-21/h3-4,7-14H,1-2,5-6,15-18H2,(H,27,28)
InChIKeyYLDVCEUJTLCMPX-UHFFFAOYSA-N
XLogP5.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[4-(quinolin-2-ylmethoxy)phenyl]cyclopentane-1-carboxylate
CID 15052569
CID 67726997
CID 67726997
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
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid
CID 19069087
(2S,3S)-2-hydroxy-3-phenyl-3-[4-(quinolin-2-ylmethoxy)anilino]propanoic acid
CID 22846378
2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid
CID 19935715

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid?
The IUPAC name of 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid (CID 57179781) is 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid?
The canonical SMILES for 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid is O=C(O)CC1(c2ccc(OCc3ccc4ccccc4n3)cc2)CCCCCC1.
What is the InChIKey of 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid?
The InChIKey is YLDVCEUJTLCMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c27-24(28)17-25(15-5-1-2-6-16-25)20-10-13-22(14-11-20)29-18-21-12-9-19-7-3-4-8-23(19)26-21/h3-4,7-14H,1-2,5-6,15-18H2,(H,27,28).
What are the key properties of 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid?
2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid has a molecular weight of 389.50 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(quinolin-2-ylmethoxy)phenyl]cycloheptyl]acetic acid is sourced from PubChem (CID 57179781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).