7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one

C27H33N5O3 — CID 146246301

IUPAC7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
SMILESCCCc1cccc(Nc2ncnc3cc(OC)c(N4CC5(CN(C)C5C)OC4=O)cc23)c1CC
InChIInChI=1S/C27H33N5O3/c1-6-9-18-10-8-11-21(19(18)7-2)30-25-20-12-23(24(34-5)13-22(20)28-16-29-25)32-15-27(35-26(32)33)14-31(4)17(27)3/h8,10-13,16-17H,6-7,9,14-15H2,1-5H3,(H,28,29,30)
InChIKeyORDNYTCNJGGXFO-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.93
Rot. Bonds7

About 7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one

7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one (PubChem CID 146246301) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is 7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
PubChem CID146246301
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Name7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
SMILESCCCc1cccc(Nc2ncnc3cc(OC)c(N4CC5(CN(C)C5C)OC4=O)cc23)c1CC
InChIInChI=1S/C27H33N5O3/c1-6-9-18-10-8-11-21(19(18)7-2)30-25-20-12-23(24(34-5)13-22(20)28-16-29-25)32-15-27(35-26(32)33)14-31(4)17(27)3/h8,10-13,16-17H,6-7,9,14-15H2,1-5H3,(H,28,29,30)
InChIKeyORDNYTCNJGGXFO-UHFFFAOYSA-N
XLogP4.93
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one with MolForge

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Related Compounds

(3R)-7-[4-(2-fluoro-3-hydroxyanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 166969322
7-[4-(2-fluoro-3-propylanilino)-7-methoxyquinazolin-6-yl]-2-propyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 146246201
ethane;6-ethyl-3-[4-(3-ethyl-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 142392617
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-[3-(dimethylamino)-4-ethyl-2-methylanilino]-7-methoxyquinazolin-6-yl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 166969355
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-(2,4-dimethylanilino)-7-methoxyquinazolin-6-yl]-2-methyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 135201740
6,7-dimethoxy-N-(2-propylphenyl)quinazolin-4-amine
CID 68916243
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-[7-(difluoromethoxy)-4-(2-fluoro-3-methoxyanilino)quinazolin-6-yl]-5-ethyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 135201395
3-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-5-ethyl-4-methyl-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 135201323
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

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one (CID 146246301) is 7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one is CCCc1cccc(Nc2ncnc3cc(OC)c(N4CC5(CN(C)C5C)OC4=O)cc23)c1CC.
What is the InChIKey of 7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one?
The InChIKey is ORDNYTCNJGGXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-6-9-18-10-8-11-21(19(18)7-2)30-25-20-12-23(24(34-5)13-22(20)28-16-29-25)32-15-27(35-26(32)33)14-31(4)17(27)3/h8,10-13,16-17H,6-7,9,14-15H2,1-5H3,(H,28,29,30).
What are the key properties of 7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one?
7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one has a molecular weight of 475.59 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-ethyl-3-propylanilino)-7-methoxyquinazolin-6-yl]-2,3-dimethyl-5-oxa-2,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 146246301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).