[1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride

C25H25ClN2O2 — CID 18968769

IUPAC[1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride
SMILESCN1CCOCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.Cl
InChIInChI=1S/C25H24N2O2.ClH/c1-26-13-14-29-17-19(26)15-27-16-23(21-10-4-5-12-24(21)27)25(28)22-11-6-8-18-7-2-3-9-20(18)22;/h2-12,16,19H,13-15,17H2,1H3;1H
InChIKeyCAQVNGYZRMTPJR-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.78
Rot. Bonds4

About [1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride

[1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride (PubChem CID 18968769) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is [1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride
PubChem CID18968769
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC Name[1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride
SMILESCN1CCOCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.Cl
InChIInChI=1S/C25H24N2O2.ClH/c1-26-13-14-29-17-19(26)15-27-16-23(21-10-4-5-12-24(21)27)25(28)22-11-6-8-18-7-2-3-9-20(18)22;/h2-12,16,19H,13-15,17H2,1H3;1H
InChIKeyCAQVNGYZRMTPJR-UHFFFAOYSA-N
XLogP4.78
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride?
The IUPAC name of [1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride (CID 18968769) is [1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride.
What is the SMILES notation for [1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride?
The canonical SMILES for [1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride is CN1CCOCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21.Cl.
What is the InChIKey of [1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride?
The InChIKey is CAQVNGYZRMTPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2.ClH/c1-26-13-14-29-17-19(26)15-27-16-23(21-10-4-5-12-24(21)27)25(28)22-11-6-8-18-7-2-3-9-20(18)22;/h2-12,16,19H,13-15,17H2,1H3;1H.
What are the key properties of [1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride?
[1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride has a molecular weight of 420.94 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylmorpholin-3-yl)methyl]indol-3-yl]-naphthalen-1-ylmethanone;hydrochloride is sourced from PubChem (CID 18968769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).