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

C28H34N4O2 — CID 145268987

IUPAC2-(morpholin-4-ylmethyl)-7-[4-[(1-propan-2-ylazetidin-3-yl)methyl]phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESCC(C)N1CC(Cc2ccc(-c3ccc4c(c3)OCc3nc(CN5CCOCC5)cn3-4)cc2)C1
InChIInChI=1S/C28H34N4O2/c1-20(2)31-15-22(16-31)13-21-3-5-23(6-4-21)24-7-8-26-27(14-24)34-19-28-29-25(18-32(26)28)17-30-9-11-33-12-10-30/h3-8,14,18,20,22H,9-13,15-17,19H2,1-2H3
InChIKeyXSHGCMFURDAXKN-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.15
Rot. Bonds6

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

2-(morpholin-4-ylmethyl)-7-[4-[(1-propan-2-ylazetidin-3-yl)methyl]phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine (PubChem CID 145268987) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-7-[4-[(1-propan-2-ylazetidin-3-yl)methyl]phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-7-[4-[(1-propan-2-ylazetidin-3-yl)methyl]phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine
PubChem CID145268987
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name2-(morpholin-4-ylmethyl)-7-[4-[(1-propan-2-ylazetidin-3-yl)methyl]phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine
SMILESCC(C)N1CC(Cc2ccc(-c3ccc4c(c3)OCc3nc(CN5CCOCC5)cn3-4)cc2)C1
InChIInChI=1S/C28H34N4O2/c1-20(2)31-15-22(16-31)13-21-3-5-23(6-4-21)24-7-8-26-27(14-24)34-19-28-29-25(18-32(26)28)17-30-9-11-33-12-10-30/h3-8,14,18,20,22H,9-13,15-17,19H2,1-2H3
InChIKeyXSHGCMFURDAXKN-UHFFFAOYSA-N
XLogP4.15
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.15
H-Bond Donors ≤ 50
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
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
7-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
CID 126651489
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
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
7-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
CID 126678759
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
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
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
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
2-(morpholin-4-ylmethyl)-7-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4H-pyrazolo[5,1-c][1,4]benzoxazine
CID 126679826
tert-butyl 4-[2-methyl-4-[2-(2-morpholin-4-ylethyl)-4H-imidazo[2,1-c][1,4]benzoxazin-7-yl]phenyl]piperazine-1-carboxylate
CID 126680537

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-7-[4-[(1-propan-2-ylazetidin-3-yl)methyl]phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The IUPAC name of 2-(morpholin-4-ylmethyl)-7-[4-[(1-propan-2-ylazetidin-3-yl)methyl]phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine (CID 145268987) is 2-(morpholin-4-ylmethyl)-7-[4-[(1-propan-2-ylazetidin-3-yl)methyl]phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-7-[4-[(1-propan-2-ylazetidin-3-yl)methyl]phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-7-[4-[(1-propan-2-ylazetidin-3-yl)methyl]phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine is CC(C)N1CC(Cc2ccc(-c3ccc4c(c3)OCc3nc(CN5CCOCC5)cn3-4)cc2)C1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-7-[4-[(1-propan-2-ylazetidin-3-yl)methyl]phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
The InChIKey is XSHGCMFURDAXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-20(2)31-15-22(16-31)13-21-3-5-23(6-4-21)24-7-8-26-27(14-24)34-19-28-29-25(18-32(26)28)17-30-9-11-33-12-10-30/h3-8,14,18,20,22H,9-13,15-17,19H2,1-2H3.
What are the key properties of 2-(morpholin-4-ylmethyl)-7-[4-[(1-propan-2-ylazetidin-3-yl)methyl]phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine?
2-(morpholin-4-ylmethyl)-7-[4-[(1-propan-2-ylazetidin-3-yl)methyl]phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine has a molecular weight of 458.61 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-7-[4-[(1-propan-2-ylazetidin-3-yl)methyl]phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine is sourced from PubChem (CID 145268987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).