[8-methyl-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methanol

C25H30N4O2 — CID 126680532

IUPAC[8-methyl-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methanol
SMILESCc1cc2c(cc1-c1ccc(N3CCN(C(C)C)CC3)cc1)OCc1nc(CO)cn1-2
InChIInChI=1S/C25H30N4O2/c1-17(2)27-8-10-28(11-9-27)21-6-4-19(5-7-21)22-13-24-23(12-18(22)3)29-14-20(15-30)26-25(29)16-31-24/h4-7,12-14,17,30H,8-11,15-16H2,1-3H3
InChIKeyCTSHZHRFBOYZAQ-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.76
Rot. Bonds4

About [8-methyl-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methanol

[8-methyl-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methanol (PubChem CID 126680532) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is [8-methyl-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methanol.

Molecular Properties

Compound Name[8-methyl-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methanol
PubChem CID126680532
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name[8-methyl-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methanol
SMILESCc1cc2c(cc1-c1ccc(N3CCN(C(C)C)CC3)cc1)OCc1nc(CO)cn1-2
InChIInChI=1S/C25H30N4O2/c1-17(2)27-8-10-28(11-9-27)21-6-4-19(5-7-21)22-13-24-23(12-18(22)3)29-14-20(15-30)26-25(29)16-31-24/h4-7,12-14,17,30H,8-11,15-16H2,1-3H3
InChIKeyCTSHZHRFBOYZAQ-UHFFFAOYSA-N
XLogP3.76
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
ethane;8-methyl-2-(3-methylsulfanylpropyl)-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 145269032
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
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
7-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(morpholin-4-ylmethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
CID 126651489
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
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-[4-[(1-propan-2-ylazetidin-3-yl)methyl]phenyl]-4H-imidazo[2,1-c][1,4]benzoxazine
CID 145268987
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
11-[4-(4-methylpiperazin-1-yl)phenyl]-4-(morpholin-4-ylmethyl)-8-oxa-2,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaene;4-(piperidin-1-ylmethyl)-11-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-8-oxa-2,5,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaene
CID 145269004
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 [8-methyl-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methanol?
The IUPAC name of [8-methyl-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methanol (CID 126680532) is [8-methyl-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methanol.
What is the SMILES notation for [8-methyl-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methanol?
The canonical SMILES for [8-methyl-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methanol is Cc1cc2c(cc1-c1ccc(N3CCN(C(C)C)CC3)cc1)OCc1nc(CO)cn1-2.
What is the InChIKey of [8-methyl-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methanol?
The InChIKey is CTSHZHRFBOYZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-17(2)27-8-10-28(11-9-27)21-6-4-19(5-7-21)22-13-24-23(12-18(22)3)29-14-20(15-30)26-25(29)16-31-24/h4-7,12-14,17,30H,8-11,15-16H2,1-3H3.
What are the key properties of [8-methyl-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methanol?
[8-methyl-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methanol has a molecular weight of 418.54 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-7-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4H-imidazo[2,1-c][1,4]benzoxazin-2-yl]methanol is sourced from PubChem (CID 126680532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).