(4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate

C14H15ClN2O3 — CID 122446171

IUPAC(4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
SMILESCOc1cc2ncnc(Cl)c2cc1OC(=O)C(C)(C)C
InChIInChI=1S/C14H15ClN2O3/c1-14(2,3)13(18)20-11-5-8-9(6-10(11)19-4)16-7-17-12(8)15/h5-7H,1-4H3
InChIKeyUMXJKOXOEXFYTE-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.24
Rot. Bonds2

About (4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate

(4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate (PubChem CID 122446171) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is (4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
PubChem CID122446171
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name(4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
SMILESCOc1cc2ncnc(Cl)c2cc1OC(=O)C(C)(C)C
InChIInChI=1S/C14H15ClN2O3/c1-14(2,3)13(18)20-11-5-8-9(6-10(11)19-4)16-7-17-12(8)15/h5-7H,1-4H3
InChIKeyUMXJKOXOEXFYTE-UHFFFAOYSA-N
XLogP3.24
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.24
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) acetate;hydrochloride
CID 22022159
(4-anilino-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 134271543
(4-chloro-3-cyano-7-methoxyquinolin-6-yl) 2,2-dimethylpropanoate
CID 141337524
4-chloro-7-(3-chloropropoxy)-6-methoxyquinazoline
CID 57447227
6-tert-butylsulfinyl-4-chloro-7-methoxyquinazoline
CID 174369974
[4-chloro-7-(2,2-dimethylpropanoyloxy)quinazolin-6-yl] 2,2-dimethylpropanoate;3,4-dichloro-2-fluoroaniline;[4-(3,4-dichloro-2-fluoroanilino)-7-(2,2-dimethylpropanoyloxy)quinazolin-6-yl] 2,2-dimethylpropanoate
CID 158865047
7-(2-bromoethoxy)-4-chloro-6-methoxyquinazoline
CID 86761073
N-(4-chloro-7-methoxyquinazolin-6-yl)cyclopropanecarboxamide
CID 169231782
4-chloro-7-methoxy-6-prop-2-ynoxyquinazoline
CID 87139152
N-(6,7-dimethoxyquinazolin-4-yl)-2,2-dimethylpropanamide
CID 155236083
4-chloro-6-methoxy-7-phenylmethoxyquinazoline
CID 10661998
tert-butyl 2-(4-chloro-6-methoxyquinazolin-7-yl)oxy-2-piperidin-4-ylacetate
CID 87909351

Frequently Asked Questions

What is the IUPAC name of (4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate?
The IUPAC name of (4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate (CID 122446171) is (4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate is COc1cc2ncnc(Cl)c2cc1OC(=O)C(C)(C)C.
What is the InChIKey of (4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate?
The InChIKey is UMXJKOXOEXFYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-14(2,3)13(18)20-11-5-8-9(6-10(11)19-4)16-7-17-12(8)15/h5-7H,1-4H3.
What are the key properties of (4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate?
(4-chloro-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate has a molecular weight of 294.74 g/mol, XLogP of 3.24, 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) 2,2-dimethylpropanoate is sourced from PubChem (CID 122446171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).