7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine

C27H30N4O2 — CID 126651046

IUPAC7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESCC1CC(c2cccc(-c3ccc4c(c3)OCc3nc(CN5CCOCC5)cn3-4)c2)=CCN1
InChIInChI=1S/C27H30N4O2/c1-19-13-23(7-8-28-19)21-4-2-3-20(14-21)22-5-6-25-26(15-22)33-18-27-29-24(17-31(25)27)16-30-9-11-32-12-10-30/h2-7,14-15,17,19,28H,8-13,16,18H2,1H3
InChIKeyBKZHPCMTVDRYOT-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.03
Rot. Bonds4

About 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine

7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine (PubChem CID 126651046) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
PubChem CID126651046
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESCC1CC(c2cccc(-c3ccc4c(c3)OCc3nc(CN5CCOCC5)cn3-4)c2)=CCN1
InChIInChI=1S/C27H30N4O2/c1-19-13-23(7-8-28-19)21-4-2-3-20(14-21)22-5-6-25-26(15-22)33-18-27-29-24(17-31(25)27)16-30-9-11-32-12-10-30/h2-7,14-15,17,19,28H,8-13,16,18H2,1H3
InChIKeyBKZHPCMTVDRYOT-UHFFFAOYSA-N
XLogP4.03
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(morpholin-4-ylmethyl)-7-[3-(1-propan-2-ylpiperidin-4-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 126679806
7-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
CID 126651489
2-(morpholin-4-ylmethyl)-7-[4-[(1-propan-2-ylazetidin-3-yl)methyl]phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 145268987
2-(morpholin-4-ylmethyl)-7-[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 145269000
tert-butyl 4-[2-methyl-4-[2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate
CID 126680327
7-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
CID 126678759
4-[[7-[4-(4-methylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 126680355
7-bromo-2-[(4-methylpiperazin-1-yl)methyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 126679808
2-[2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]-5-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 126679857
8-methyl-2-(2-morpholin-4-ylethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 126651399
1-methyl-2-(morpholin-4-ylmethyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 126679861
ethane;2-(2-piperidin-1-ylethyl)-7-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 145268964

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine?
The IUPAC name of 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine (CID 126651046) is 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine.
What is the SMILES notation for 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine?
The canonical SMILES for 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine is CC1CC(c2cccc(-c3ccc4c(c3)OCc3nc(CN5CCOCC5)cn3-4)c2)=CCN1.
What is the InChIKey of 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine?
The InChIKey is BKZHPCMTVDRYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-19-13-23(7-8-28-19)21-4-2-3-20(14-21)22-5-6-25-26(15-22)33-18-27-29-24(17-31(25)27)16-30-9-11-32-12-10-30/h2-7,14-15,17,19,28H,8-13,16,18H2,1H3.
What are the key properties of 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine?
7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine has a molecular weight of 442.56 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine is sourced from PubChem (CID 126651046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).