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

C16H20ClN3O2 — CID 91903082

IUPAC4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline
SMILESCOc1cc2c(Cl)ncnc2cc1OCN1CCC(C)CC1
InChIInChI=1S/C16H20ClN3O2/c1-11-3-5-20(6-4-11)10-22-15-8-13-12(7-14(15)21-2)16(17)19-9-18-13/h7-9,11H,3-6,10H2,1-2H3
InChIKeySSMZPLHVORFDBR-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.36
Rot. Bonds4

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

4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline (PubChem CID 91903082) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline.

Molecular Properties

Compound Name4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline
PubChem CID91903082
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline
SMILESCOc1cc2c(Cl)ncnc2cc1OCN1CCC(C)CC1
InChIInChI=1S/C16H20ClN3O2/c1-11-3-5-20(6-4-11)10-22-15-8-13-12(7-14(15)21-2)16(17)19-9-18-13/h7-9,11H,3-6,10H2,1-2H3
InChIKeySSMZPLHVORFDBR-UHFFFAOYSA-N
XLogP3.36
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
CID 86761073
4-chloro-7-(3-cyclohexylpropoxy)-6-methoxyquinazoline
CID 10980561
4-chloro-7-methoxy-6-prop-2-ynoxyquinazoline
CID 87139152
4-chloro-7-[2-[4-(1-fluoroethyl)piperazin-1-yl]ethoxy]-6-methoxyquinazoline
CID 91578085
1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone
CID 58960248
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
4-chloro-6-methoxy-7-(1-piperidin-1-ylethoxy)quinazoline
CID 91363956
4-chloro-7-(3-pyrrolidin-1-ylpropoxy)-6-(trideuteriomethoxy)quinazoline
CID 87631738
3-(4-chloro-7-methoxyquinazolin-6-yl)oxy-1-morpholin-4-ylpropan-1-ol
CID 175087895
[4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]methyl dihydrogen phosphate
CID 162511263
(4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride
CID 22022159

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline?
The IUPAC name of 4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline (CID 91903082) is 4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline.
What is the SMILES notation for 4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline?
The canonical SMILES for 4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline is COc1cc2c(Cl)ncnc2cc1OCN1CCC(C)CC1.
What is the InChIKey of 4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline?
The InChIKey is SSMZPLHVORFDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-11-3-5-20(6-4-11)10-22-15-8-13-12(7-14(15)21-2)16(17)19-9-18-13/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline?
4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline has a molecular weight of 321.81 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-7-[(4-methylpiperidin-1-yl)methoxy]quinazoline is sourced from PubChem (CID 91903082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).