(4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride

C11H10Cl2N2O3 — CID 22022159

IUPAC(4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride
SMILESCOc1cc2ncnc(Cl)c2cc1OC(C)=O.Cl
InChIInChI=1S/C11H9ClN2O3.ClH/c1-6(15)17-10-3-7-8(4-9(10)16-2)13-5-14-11(7)12;/h3-5H,1-2H3;1H
InChIKeyDSYIUUXIRMLRQU-UHFFFAOYSA-N
MW289.12 g/mol
LogP2.64
Rot. Bonds2

About (4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride

(4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride (PubChem CID 22022159) has the molecular formula C11H10Cl2N2O3 and a molecular weight of 289.12 g/mol. Its IUPAC name is (4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride.

Molecular Properties

Compound Name(4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride
PubChem CID22022159
Molecular FormulaC11H10Cl2N2O3
Molecular Weight289.12 g/mol
Exact Mass288.01
IUPAC Name(4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride
SMILESCOc1cc2ncnc(Cl)c2cc1OC(C)=O.Cl
InChIInChI=1S/C11H9ClN2O3.ClH/c1-6(15)17-10-3-7-8(4-9(10)16-2)13-5-14-11(7)12;/h3-5H,1-2H3;1H
InChIKeyDSYIUUXIRMLRQU-UHFFFAOYSA-N
XLogP2.64
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 122446171
3-chloro-4-fluoroaniline;[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate;(4-chloro-7-methoxyquinazolin-6-yl) acetate;methane
CID 160564380
4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
CID 86761073
(4-chloro-3-cyano-7-methoxyquinolin-6-yl) acetate
CID 59164220
[4-(5-chloro-4-fluoro-2-methylanilino)-7-methoxyquinazolin-6-yl] acetate
CID 173197249
4-chloro-7-methoxy-6-prop-2-ynoxyquinazoline
CID 87139152
1-[4-[3-(4-chloro-7-methoxyquinazolin-6-yl)oxypropyl]piperazin-1-yl]ethanone
CID 58960248
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
3-[4-chloro-6-(2-methoxyethoxy)quinazolin-7-yl]oxypropanoic acid
CID 163197326
N-(4-chloro-7-methoxyquinazolin-6-yl)cyclopropanecarboxamide
CID 169231782
6,7-dimethoxy-4-methylquinazoline
CID 4319422

Frequently Asked Questions

What is the IUPAC name of (4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride?
The IUPAC name of (4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride (CID 22022159) is (4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride.
What is the SMILES notation for (4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride?
The canonical SMILES for (4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride is COc1cc2ncnc(Cl)c2cc1OC(C)=O.Cl.
What is the InChIKey of (4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride?
The InChIKey is DSYIUUXIRMLRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3.ClH/c1-6(15)17-10-3-7-8(4-9(10)16-2)13-5-14-11(7)12;/h3-5H,1-2H3;1H.
What are the key properties of (4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride?
(4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride has a molecular weight of 289.12 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-7-methoxyquinazolin-6-yl) acetate;hydrochloride is sourced from PubChem (CID 22022159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).