[4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol

C19H24N2O4 — CID 154782345

IUPAC[4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol
SMILESCOc1cc2c(c(OC)c1OC)CCN(c1ccncc1CO)CC2
InChIInChI=1S/C19H24N2O4/c1-23-17-10-13-5-8-21(16-4-7-20-11-14(16)12-22)9-6-15(13)18(24-2)19(17)25-3/h4,7,10-11,22H,5-6,8-9,12H2,1-3H3
InChIKeyYOVIAXMRCPYZBP-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.20
Rot. Bonds5

About [4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol

[4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol (PubChem CID 154782345) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol
PubChem CID154782345
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol
SMILESCOc1cc2c(c(OC)c1OC)CCN(c1ccncc1CO)CC2
InChIInChI=1S/C19H24N2O4/c1-23-17-10-13-5-8-21(16-4-7-20-11-14(16)12-22)9-6-15(13)18(24-2)19(17)25-3/h4,7,10-11,22H,5-6,8-9,12H2,1-3H3
InChIKeyYOVIAXMRCPYZBP-UHFFFAOYSA-N
XLogP2.20
TPSA64.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol with MolForge

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Related Compounds

[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 81237725
[4-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanol
CID 81237712
[4-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81238726
[4-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81237350
2-(5,6,7-trimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanol
CID 110457131
2-ethyl-6,7,8-trimethoxy-3,4-dihydro-1H-isoquinoline
CID 110457114
[4-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methanol
CID 114412368
2-[4-[3-(hydroxymethyl)-4-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 107225535
[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methanol
CID 81236983
4-[[2-(6-chloro-7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methyl]cyclohexa-2,4-diene-1-thione
CID 88775301
[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 138022493
6-bromo-7,8-dimethoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 70567487

Frequently Asked Questions

What is the IUPAC name of [4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol (CID 154782345) is [4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol is COc1cc2c(c(OC)c1OC)CCN(c1ccncc1CO)CC2.
What is the InChIKey of [4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol?
The InChIKey is YOVIAXMRCPYZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-23-17-10-13-5-8-21(16-4-7-20-11-14(16)12-22)9-6-15(13)18(24-2)19(17)25-3/h4,7,10-11,22H,5-6,8-9,12H2,1-3H3.
What are the key properties of [4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol?
[4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol has a molecular weight of 344.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7,8-trimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 154782345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).