3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol

C16H20ClN3O4 — CID 175087895

IUPAC3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol
SMILESCOc1cc2ncnc(Cl)c2cc1OCCC(O)N1CCOCC1
InChIInChI=1S/C16H20ClN3O4/c1-22-13-9-12-11(16(17)19-10-18-12)8-14(13)24-5-2-15(21)20-3-6-23-7-4-20/h8-10,15,21H,2-7H2,1H3
InChIKeyBXBMICZSQFLVEW-UHFFFAOYSA-N
MW353.81 g/mol
LogP1.71
Rot. Bonds6

About 3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol

3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol (PubChem CID 175087895) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is 3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol
PubChem CID175087895
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Name3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol
SMILESCOc1cc2ncnc(Cl)c2cc1OCCC(O)N1CCOCC1
InChIInChI=1S/C16H20ClN3O4/c1-22-13-9-12-11(16(17)19-10-18-12)8-14(13)24-5-2-15(21)20-3-6-23-7-4-20/h8-10,15,21H,2-7H2,1H3
InChIKeyBXBMICZSQFLVEW-UHFFFAOYSA-N
XLogP1.71
TPSA76.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-7-methoxy-6-propoxyquinazoline;morpholine;hydrochloride
CID 174738366
4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
CID 86761073
4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline
CID 91578085
4-chloro-6-methoxy-7-(1-piperidin-1-ylethoxy)quinazoline
CID 91363956
1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone
CID 58960248
4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline
CID 91903082
4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline
CID 10980561
4-chloro-7-methoxy-6-prop-2-ynoxyquinazoline
CID 87139152
4-chloro-7-(3-pyrrolidin-1-ylpropoxy)-6-(trideuteriomethoxy)quinazoline
CID 87631738
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid
CID 163197326

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol?
The IUPAC name of 3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol (CID 175087895) is 3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol.
What is the SMILES notation for 3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol?
The canonical SMILES for 3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol is COc1cc2ncnc(Cl)c2cc1OCCC(O)N1CCOCC1.
What is the InChIKey of 3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol?
The InChIKey is BXBMICZSQFLVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c1-22-13-9-12-11(16(17)19-10-18-12)8-14(13)24-5-2-15(21)20-3-6-23-7-4-20/h8-10,15,21H,2-7H2,1H3.
What are the key properties of 3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol?
3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol has a molecular weight of 353.81 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol is sourced from PubChem (CID 175087895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).