ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine

C32H39N3O3 — CID 143533323

IUPACethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine
SMILESCC.CCc1cc(CCOc2nc(N3CCOCC3)c3cc(-c4ccc(C)cc4)ccc3n2)ccc1OC
InChIInChI=1S/C30H33N3O3.C2H6/c1-4-23-19-22(7-12-28(23)34-3)13-16-36-30-31-27-11-10-25(24-8-5-21(2)6-9-24)20-26(27)29(32-30)33-14-17-35-18-15-33;1-2/h5-12,19-20H,4,13-18H2,1-3H3;1-2H3
InChIKeyKFDWLLRPTFPEGQ-UHFFFAOYSA-N
MW513.68 g/mol
LogP6.66
Rot. Bonds8

About ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine

ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine (PubChem CID 143533323) has the molecular formula C32H39N3O3 and a molecular weight of 513.68 g/mol. Its IUPAC name is ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine.

Molecular Properties

Compound Nameethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine
PubChem CID143533323
Molecular FormulaC32H39N3O3
Molecular Weight513.68 g/mol
Exact Mass513.30
IUPAC Nameethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine
SMILESCC.CCc1cc(CCOc2nc(N3CCOCC3)c3cc(-c4ccc(C)cc4)ccc3n2)ccc1OC
InChIInChI=1S/C30H33N3O3.C2H6/c1-4-23-19-22(7-12-28(23)34-3)13-16-36-30-31-27-11-10-25(24-8-5-21(2)6-9-24)20-26(27)29(32-30)33-14-17-35-18-15-33;1-2/h5-12,19-20H,4,13-18H2,1-3H3;1-2H3
InChIKeyKFDWLLRPTFPEGQ-UHFFFAOYSA-N
XLogP6.66
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.68
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine
CID 11477585
3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide
CID 11214463
4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine
CID 91424946
2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-methyl-5-propan-2-ylphenyl)-4-piperidin-1-ylquinazoline
CID 70989231
4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine
CID 143533307
N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine
CID 11362859
4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831887
1-[7-[2-[4-(dipropylamino)-6-(3-methylphenyl)quinazolin-2-yl]oxyethoxy]-6-(3-methylphenyl)-4-morpholin-4-ylquinazolin-2-yl]oxy-2-methylpropan-2-ol
CID 143340831
6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-amine
CID 11996073
1-[4-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]-3-[4-(2-oxopropyl)phenyl]urea
CID 161015120
[5-(2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl)-2-methoxyphenyl]methanol;ethane
CID 144519586
2-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[(E)-1H-indol-3-ylmethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 135443357

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine?
The IUPAC name of ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine (CID 143533323) is ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine.
What is the SMILES notation for ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine?
The canonical SMILES for ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine is CC.CCc1cc(CCOc2nc(N3CCOCC3)c3cc(-c4ccc(C)cc4)ccc3n2)ccc1OC.
What is the InChIKey of ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine?
The InChIKey is KFDWLLRPTFPEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3.C2H6/c1-4-23-19-22(7-12-28(23)34-3)13-16-36-30-31-27-11-10-25(24-8-5-21(2)6-9-24)20-26(27)29(32-30)33-14-17-35-18-15-33;1-2/h5-12,19-20H,4,13-18H2,1-3H3;1-2H3.
What are the key properties of ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine?
ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine has a molecular weight of 513.68 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine is sourced from PubChem (CID 143533323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).