(4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone

C15H16ClN3O3 — CID 169095615

IUPAC(4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone
SMILESCOc1cc2c(Cl)nc(C)nc2cc1C(=O)N1CCOCC1
InChIInChI=1S/C15H16ClN3O3/c1-9-17-12-7-11(15(20)19-3-5-22-6-4-19)13(21-2)8-10(12)14(16)18-9/h7-8H,3-6H2,1-2H3
InChIKeyXWZVCVWZVIHRIG-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.07
Rot. Bonds2

About (4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone

(4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone (PubChem CID 169095615) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is (4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone
PubChem CID169095615
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name(4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone
SMILESCOc1cc2c(Cl)nc(C)nc2cc1C(=O)N1CCOCC1
InChIInChI=1S/C15H16ClN3O3/c1-9-17-12-7-11(15(20)19-3-5-22-6-4-19)13(21-2)8-10(12)14(16)18-9/h7-8H,3-6H2,1-2H3
InChIKeyXWZVCVWZVIHRIG-UHFFFAOYSA-N
XLogP2.07
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-6-methoxy-2-methylquinazolin-7-yl]-morpholin-4-ylmethanone
CID 164550519
[4-[[(1R)-1-(3-amino-5-isocyanophenyl)ethyl]amino]-6-methoxy-2-methylquinazolin-7-yl]-morpholin-4-ylmethanone
CID 170939375
N-[2-chloro-5-methoxy-4-(morpholine-4-carbonyl)phenyl]acetamide
CID 17257113
[5-chloro-2-methoxy-4-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-morpholin-4-ylmethanone
CID 20916299
(3-chloro-6-hydroxy-5-methoxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 67094205
(2-methylquinolin-3-yl)-morpholin-4-ylmethanone
CID 110489563
(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
CID 4661838
[2-(2,5-dimethoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330401
[4-(4-fluoro-3-methylanilino)-6-methoxy-2-pyridin-3-ylquinazolin-7-yl]-morpholin-4-ylmethanone
CID 144501047
(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802
(5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 67094298
methyl 6-methoxy-2,4-dimethylquinazoline-7-carboxylate
CID 143096714

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone (CID 169095615) is (4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone is COc1cc2c(Cl)nc(C)nc2cc1C(=O)N1CCOCC1.
What is the InChIKey of (4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone?
The InChIKey is XWZVCVWZVIHRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-9-17-12-7-11(15(20)19-3-5-22-6-4-19)13(21-2)8-10(12)14(16)18-9/h7-8H,3-6H2,1-2H3.
What are the key properties of (4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone?
(4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone has a molecular weight of 321.76 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-methoxy-2-methylquinazolin-7-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 169095615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).