(6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone

C20H20N4O2 — CID 74239660

IUPAC(6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone
SMILESO=C(c1cc2ccccc2cn1)N1CCN(c2ccncc2)CC(O)C1
InChIInChI=1S/C20H20N4O2/c25-18-13-23(17-5-7-21-8-6-17)9-10-24(14-18)20(26)19-11-15-3-1-2-4-16(15)12-22-19/h1-8,11-12,18,25H,9-10,13-14H2
InChIKeyLQGGYZVYTPEFTI-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.95
Rot. Bonds2

About (6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone

(6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone (PubChem CID 74239660) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone.

Molecular Properties

Compound Name(6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone
PubChem CID74239660
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone
SMILESO=C(c1cc2ccccc2cn1)N1CCN(c2ccncc2)CC(O)C1
InChIInChI=1S/C20H20N4O2/c25-18-13-23(17-5-7-21-8-6-17)9-10-24(14-18)20(26)19-11-15-3-1-2-4-16(15)12-22-19/h1-8,11-12,18,25H,9-10,13-14H2
InChIKeyLQGGYZVYTPEFTI-UHFFFAOYSA-N
XLogP1.95
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone with MolForge

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Related Compounds

isoquinolin-3-yl-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380558
1-(6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-2-thiophen-2-ylethanone
CID 74234917
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
isoquinolin-3-yl-[3-[(2-methylphenyl)methyl]azetidin-1-yl]methanone
CID 167938480
isoquinolin-3-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 54670305
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218095
(4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone
CID 71801413
isoquinoline-3-carboxylic acid;rhenium
CID 59015469
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 110868344
[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182571
4-[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208886
2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126441239

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone?
The IUPAC name of (6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone (CID 74239660) is (6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone.
What is the SMILES notation for (6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone?
The canonical SMILES for (6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone is O=C(c1cc2ccccc2cn1)N1CCN(c2ccncc2)CC(O)C1.
What is the InChIKey of (6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone?
The InChIKey is LQGGYZVYTPEFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-18-13-23(17-5-7-21-8-6-17)9-10-24(14-18)20(26)19-11-15-3-1-2-4-16(15)12-22-19/h1-8,11-12,18,25H,9-10,13-14H2.
What are the key properties of (6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone?
(6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl)-isoquinolin-3-ylmethanone is sourced from PubChem (CID 74239660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).