6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one

C24H26N4O5 — CID 22030579

IUPAC6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one
SMILESCOc1cc2c(Oc3ccc4c(c3)NC(=O)CO4)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C24H26N4O5/c1-28-7-5-15(6-8-28)12-31-22-11-18-17(10-21(22)30-2)24(26-14-25-18)33-16-3-4-20-19(9-16)27-23(29)13-32-20/h3-4,9-11,14-15H,5-8,12-13H2,1-2H3,(H,27,29)
InChIKeyOFSBHMAKSXEZDH-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.48
Rot. Bonds6

About 6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one

6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one (PubChem CID 22030579) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one
PubChem CID22030579
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one
SMILESCOc1cc2c(Oc3ccc4c(c3)NC(=O)CO4)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C24H26N4O5/c1-28-7-5-15(6-8-28)12-31-22-11-18-17(10-21(22)30-2)24(26-14-25-18)33-16-3-4-20-19(9-16)27-23(29)13-32-20/h3-4,9-11,14-15H,5-8,12-13H2,1-2H3,(H,27,29)
InChIKeyOFSBHMAKSXEZDH-UHFFFAOYSA-N
XLogP3.48
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 143865456
N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5330175
tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 22030599
1-N'-[3-fluoro-4-[7-methoxy-6-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxyphenyl]-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 130443839
2-chloroacetyl chloride;2-chloro-1-[4-[[6-methoxy-4-[(2-methyl-1H-inden-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidin-1-yl]ethanone;6-methoxy-4-[(2-methyl-1H-inden-5-yl)oxy]-7-(piperidin-4-ylmethoxy)quinazoline
CID 123382253
3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide
CID 166515151
N-bromo-N-(2,6-difluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 21081997
N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 68738104
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[2-(1-methylpiperidin-4-yl)ethoxy]quinazoline
CID 10183293
4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 22030853
N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]formamide
CID 146180749
1-(2-bromophenyl)-3-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]sulfanylurea
CID 87714502

Frequently Asked Questions

What is the IUPAC name of 6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one (CID 22030579) is 6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one is COc1cc2c(Oc3ccc4c(c3)NC(=O)CO4)ncnc2cc1OCC1CCN(C)CC1.
What is the InChIKey of 6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one?
The InChIKey is OFSBHMAKSXEZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-28-7-5-15(6-8-28)12-31-22-11-18-17(10-21(22)30-2)24(26-14-25-18)33-16-3-4-20-19(9-16)27-23(29)13-32-20/h3-4,9-11,14-15H,5-8,12-13H2,1-2H3,(H,27,29).
What are the key properties of 6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one?
6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one has a molecular weight of 450.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 22030579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).