1-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol

C15H18N2O2 — CID 71925374

IUPAC1-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol
SMILESOCc1cc2ccccc2nc1NCC1(O)CCC1
InChIInChI=1S/C15H18N2O2/c18-9-12-8-11-4-1-2-5-13(11)17-14(12)16-10-15(19)6-3-7-15/h1-2,4-5,8,18-19H,3,6-7,9-10H2,(H,16,17)
InChIKeyGYMDMPDXWOKLTB-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.05
Rot. Bonds4

About 1-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol

1-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol (PubChem CID 71925374) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol
PubChem CID71925374
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol
SMILESOCc1cc2ccccc2nc1NCC1(O)CCC1
InChIInChI=1S/C15H18N2O2/c18-9-12-8-11-4-1-2-5-13(11)17-14(12)16-10-15(19)6-3-7-15/h1-2,4-5,8,18-19H,3,6-7,9-10H2,(H,16,17)
InChIKeyGYMDMPDXWOKLTB-UHFFFAOYSA-N
XLogP2.05
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol (CID 71925374) is 1-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol is OCc1cc2ccccc2nc1NCC1(O)CCC1.
What is the InChIKey of 1-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol?
The InChIKey is GYMDMPDXWOKLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-9-12-8-11-4-1-2-5-13(11)17-14(12)16-10-15(19)6-3-7-15/h1-2,4-5,8,18-19H,3,6-7,9-10H2,(H,16,17).
What are the key properties of 1-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol?
1-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol has a molecular weight of 258.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 71925374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).