3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H22N4O3 — CID 142392548

IUPAC3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cc2ncnc(C)c2cc1N1CC2(CCN(C)CC2)OC1=O
InChIInChI=1S/C18H22N4O3/c1-12-13-8-15(16(24-3)9-14(13)20-11-19-12)22-10-18(25-17(22)23)4-6-21(2)7-5-18/h8-9,11H,4-7,10H2,1-3H3
InChIKeyJMNDOFSLGNWZIT-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.37
Rot. Bonds2

About 3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 142392548) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID142392548
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cc2ncnc(C)c2cc1N1CC2(CCN(C)CC2)OC1=O
InChIInChI=1S/C18H22N4O3/c1-12-13-8-15(16(24-3)9-14(13)20-11-19-12)22-10-18(25-17(22)23)4-6-21(2)7-5-18/h8-9,11H,4-7,10H2,1-3H3
InChIKeyJMNDOFSLGNWZIT-UHFFFAOYSA-N
XLogP2.37
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2,6-difluoro-3-methoxyanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 135201581
3-[4-[3-(dimethylamino)-4-ethyl-2-methylanilino]-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 166969355
7-[4-(2,4-dimethylanilino)-7-methoxyquinazolin-6-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 135201740
7-[4-(3-chloro-2-methylanilino)-7-methoxyquinazolin-6-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 135201721
3-[4-(2-fluoro-3-hydroxyanilino)-7-methoxyquinazolin-6-yl]-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 142392539
7-[4-(3-chloro-4-fluoro-2-methylanilino)-7-methoxyquinazolin-6-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 135201617
tert-butyl 3-[4-(3,4-dichloro-2-methylanilino)-7-methoxyquinazolin-6-yl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 146246295
tert-butyl 7-[4-(2,4-dimethylanilino)-7-methoxyquinazolin-6-yl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 135201349
4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135201558
3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-9-methyl-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;3-[4-(3-chloro-2-fluoroanilino)quinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;tris(2-[4-(3-chloro-2-fluoro-4-methylanilino)-7-methoxyquinazolin-6-yl]-8-methyl-2,8-diazaspiro[4.5]decan-3-one);3-[4-(2-fluoro-4-methylanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 161404286
6,7-dimethoxy-4-methylquinazoline
CID 4319422
7-[4-(3,4-dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 135201712

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 142392548) is 3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COc1cc2ncnc(C)c2cc1N1CC2(CCN(C)CC2)OC1=O.
What is the InChIKey of 3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JMNDOFSLGNWZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-13-8-15(16(24-3)9-14(13)20-11-19-12)22-10-18(25-17(22)23)4-6-21(2)7-5-18/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 342.40 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-4-methylquinazolin-6-yl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 142392548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).