[8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol

C19H25N3O2 — CID 155918297

IUPAC[8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol
SMILESCc1cccc2cc(CO)c(N3C[C@H]4COC[C@@H]3CN(C)C4)nc12
InChIInChI=1S/C19H25N3O2/c1-13-4-3-5-15-6-16(10-23)19(20-18(13)15)22-8-14-7-21(2)9-17(22)12-24-11-14/h3-6,14,17,23H,7-12H2,1-2H3/t14-,17-/m0/s1
InChIKeySYVUIEAOPBVFEX-YOEHRIQHSA-N
MW327.43 g/mol
LogP1.80
Rot. Bonds2

About [8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol

[8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol (PubChem CID 155918297) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol
PubChem CID155918297
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol
SMILESCc1cccc2cc(CO)c(N3C[C@H]4COC[C@@H]3CN(C)C4)nc12
InChIInChI=1S/C19H25N3O2/c1-13-4-3-5-15-6-16(10-23)19(20-18(13)15)22-8-14-7-21(2)9-17(22)12-24-11-14/h3-6,14,17,23H,7-12H2,1-2H3/t14-,17-/m0/s1
InChIKeySYVUIEAOPBVFEX-YOEHRIQHSA-N
XLogP1.80
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol?
The IUPAC name of [8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol (CID 155918297) is [8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol.
What is the SMILES notation for [8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol?
The canonical SMILES for [8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol is Cc1cccc2cc(CO)c(N3C[C@H]4COC[C@@H]3CN(C)C4)nc12.
What is the InChIKey of [8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol?
The InChIKey is SYVUIEAOPBVFEX-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-4-3-5-15-6-16(10-23)19(20-18(13)15)22-8-14-7-21(2)9-17(22)12-24-11-14/h3-6,14,17,23H,7-12H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of [8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol?
[8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol has a molecular weight of 327.43 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-2-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]quinolin-3-yl]methanol is sourced from PubChem (CID 155918297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).