[4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol

C15H18ClN3O2 — CID 114777898

IUPAC[4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2nnc(Cl)c3ccccc23)CC(CO)O1
InChIInChI=1S/C15H18ClN3O2/c1-15(2)9-19(7-10(8-20)21-15)14-12-6-4-3-5-11(12)13(16)17-18-14/h3-6,10,20H,7-9H2,1-2H3
InChIKeyRCFBEWDNUBMLNS-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.26
Rot. Bonds2

About [4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol

[4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114777898) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is [4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114777898
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name[4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2nnc(Cl)c3ccccc23)CC(CO)O1
InChIInChI=1S/C15H18ClN3O2/c1-15(2)9-19(7-10(8-20)21-15)14-12-6-4-3-5-11(12)13(16)17-18-14/h3-6,10,20H,7-9H2,1-2H3
InChIKeyRCFBEWDNUBMLNS-UHFFFAOYSA-N
XLogP2.26
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol with MolForge

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Related Compounds

[4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776247
[4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol
CID 81208068
4-chloro-6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde
CID 114777268
4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine
CID 62141546
3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbothioamide
CID 114776973
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid
CID 114777180
[4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114777961
[6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol
CID 114779341
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779306
[4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779827
6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 114779447
3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile
CID 114776876

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol (CID 114777898) is [4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(c2nnc(Cl)c3ccccc23)CC(CO)O1.
What is the InChIKey of [4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is RCFBEWDNUBMLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-15(2)9-19(7-10(8-20)21-15)14-12-6-4-3-5-11(12)13(16)17-18-14/h3-6,10,20H,7-9H2,1-2H3.
What are the key properties of [4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol?
[4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 307.78 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114777898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).