6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline

C23H27N3O3 — CID 143865456

IUPAC6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
SMILESCOc1cc2c(Oc3cccc(C)c3)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C23H27N3O3/c1-16-5-4-6-18(11-16)29-23-19-12-21(27-3)22(13-20(19)24-15-25-23)28-14-17-7-9-26(2)10-8-17/h4-6,11-13,15,17H,7-10,14H2,1-3H3
InChIKeyHANQHKBMUSBGNN-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.46
Rot. Bonds6

About 6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline

6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline (PubChem CID 143865456) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline.

Molecular Properties

Compound Name6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
PubChem CID143865456
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
SMILESCOc1cc2c(Oc3cccc(C)c3)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C23H27N3O3/c1-16-5-4-6-18(11-16)29-23-19-12-21(27-3)22(13-20(19)24-15-25-23)28-14-17-7-9-26(2)10-8-17/h4-6,11-13,15,17H,7-10,14H2,1-3H3
InChIKeyHANQHKBMUSBGNN-UHFFFAOYSA-N
XLogP4.46
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline with MolForge

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Related Compounds

6-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxy-4H-1,4-benzoxazin-3-one
CID 22030579
N-bromo-N-(2,6-difluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 21081997
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
3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide
CID 166515151
N-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]oxyphenyl]-1-methylcyclopropane-1-carboxamide
CID 134566631
tert-butyl 4-[[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate
CID 22030599
2-(2-aminoethyl)-1-(2,6-dimethylphenyl)-3-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]guanidine
CID 22243855
N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5330175
N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 68738104
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
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[2-(1-methylpiperidin-4-yl)ethoxy]quinazoline
CID 10183293
4-chloro-6-methyl-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline;4-fluoro-2-methyl-1H-indol-5-ol;4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 162118251

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline?
The IUPAC name of 6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline (CID 143865456) is 6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline.
What is the SMILES notation for 6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline?
The canonical SMILES for 6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline is COc1cc2c(Oc3cccc(C)c3)ncnc2cc1OCC1CCN(C)CC1.
What is the InChIKey of 6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline?
The InChIKey is HANQHKBMUSBGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-5-4-6-18(11-16)29-23-19-12-21(27-3)22(13-20(19)24-15-25-23)28-14-17-7-9-26(2)10-8-17/h4-6,11-13,15,17H,7-10,14H2,1-3H3.
What are the key properties of 6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline?
6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline has a molecular weight of 393.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline is sourced from PubChem (CID 143865456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).