2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline

C26H29NO3 — CID 59526978

IUPAC2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline
SMILESCc1c(COCC2(COC3CC3)CC2)nc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C26H29NO3/c1-19-24(16-28-17-26(13-14-26)18-30-21-11-12-21)27-23-10-6-5-9-22(23)25(19)29-15-20-7-3-2-4-8-20/h2-10,21H,11-18H2,1H3
InChIKeyHAGNNBZKODUKQV-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.60
Rot. Bonds10

About 2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline

2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline (PubChem CID 59526978) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline.

Molecular Properties

Compound Name2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline
PubChem CID59526978
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline
SMILESCc1c(COCC2(COC3CC3)CC2)nc2ccccc2c1OCc1ccccc1
InChIInChI=1S/C26H29NO3/c1-19-24(16-28-17-26(13-14-26)18-30-21-11-12-21)27-23-10-6-5-9-22(23)25(19)29-15-20-7-3-2-4-8-20/h2-10,21H,11-18H2,1H3
InChIKeyHAGNNBZKODUKQV-UHFFFAOYSA-N
XLogP5.60
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline?
The IUPAC name of 2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline (CID 59526978) is 2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline.
What is the SMILES notation for 2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline?
The canonical SMILES for 2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline is Cc1c(COCC2(COC3CC3)CC2)nc2ccccc2c1OCc1ccccc1.
What is the InChIKey of 2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline?
The InChIKey is HAGNNBZKODUKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-19-24(16-28-17-26(13-14-26)18-30-21-11-12-21)27-23-10-6-5-9-22(23)25(19)29-15-20-7-3-2-4-8-20/h2-10,21H,11-18H2,1H3.
What are the key properties of 2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline?
2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline has a molecular weight of 403.52 g/mol, XLogP of 5.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropyloxymethyl)cyclopropyl]methoxymethyl]-3-methyl-4-phenylmethoxyquinoline is sourced from PubChem (CID 59526978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).