2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline

C30H31NO2 — CID 85122568

IUPAC2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline
SMILESCc1cc(C2CC(COCc3ccccc3)C2COCc2ccccc2)nc2ccccc12
InChIInChI=1S/C30H31NO2/c1-22-16-30(31-29-15-9-8-14-26(22)29)27-17-25(20-32-18-23-10-4-2-5-11-23)28(27)21-33-19-24-12-6-3-7-13-24/h2-16,25,27-28H,17-21H2,1H3
InChIKeyFNJUWNWEUKNUOK-UHFFFAOYSA-N
MW437.58 g/mol
LogP6.70
Rot. Bonds9

About 2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline

2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline (PubChem CID 85122568) has the molecular formula C30H31NO2 and a molecular weight of 437.58 g/mol. Its IUPAC name is 2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline.

Molecular Properties

Compound Name2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline
PubChem CID85122568
Molecular FormulaC30H31NO2
Molecular Weight437.58 g/mol
Exact Mass437.24
IUPAC Name2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline
SMILESCc1cc(C2CC(COCc3ccccc3)C2COCc2ccccc2)nc2ccccc12
InChIInChI=1S/C30H31NO2/c1-22-16-30(31-29-15-9-8-14-26(22)29)27-17-25(20-32-18-23-10-4-2-5-11-23)28(27)21-33-19-24-12-6-3-7-13-24/h2-16,25,27-28H,17-21H2,1H3
InChIKeyFNJUWNWEUKNUOK-UHFFFAOYSA-N
XLogP6.70
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.58
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline?
The IUPAC name of 2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline (CID 85122568) is 2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline.
What is the SMILES notation for 2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline?
The canonical SMILES for 2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline is Cc1cc(C2CC(COCc3ccccc3)C2COCc2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline?
The InChIKey is FNJUWNWEUKNUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO2/c1-22-16-30(31-29-15-9-8-14-26(22)29)27-17-25(20-32-18-23-10-4-2-5-11-23)28(27)21-33-19-24-12-6-3-7-13-24/h2-16,25,27-28H,17-21H2,1H3.
What are the key properties of 2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline?
2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline has a molecular weight of 437.58 g/mol, XLogP of 6.70, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-bis(phenylmethoxymethyl)cyclobutyl]-4-methylquinoline is sourced from PubChem (CID 85122568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).