1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol

C27H23NO — CID 164672390

IUPAC1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CC1=CN(Cc2ccccc2)c2ccccc2C1
InChIInChI=1S/C27H23NO/c29-27-15-14-22-10-4-6-12-24(22)25(27)17-21-16-23-11-5-7-13-26(23)28(19-21)18-20-8-2-1-3-9-20/h1-15,19,29H,16-18H2
InChIKeyXKCBUTDUDNQZOT-UHFFFAOYSA-N
MW377.49 g/mol
LogP6.23
Rot. Bonds4

About 1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol

1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol (PubChem CID 164672390) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol
PubChem CID164672390
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Name1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CC1=CN(Cc2ccccc2)c2ccccc2C1
InChIInChI=1S/C27H23NO/c29-27-15-14-22-10-4-6-12-24(22)25(27)17-21-16-23-11-5-7-13-26(23)28(19-21)18-20-8-2-1-3-9-20/h1-15,19,29H,16-18H2
InChIKeyXKCBUTDUDNQZOT-UHFFFAOYSA-N
XLogP6.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol (CID 164672390) is 1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1CC1=CN(Cc2ccccc2)c2ccccc2C1.
What is the InChIKey of 1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol?
The InChIKey is XKCBUTDUDNQZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO/c29-27-15-14-22-10-4-6-12-24(22)25(27)17-21-16-23-11-5-7-13-26(23)28(19-21)18-20-8-2-1-3-9-20/h1-15,19,29H,16-18H2.
What are the key properties of 1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol?
1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol has a molecular weight of 377.49 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-4H-quinolin-3-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 164672390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).