2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide

C24H29N3O5 — CID 68523585

IUPAC2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc3ccc(OCC(C)CO)cc3c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C24H29N3O5/c1-15(2)25-22(29)12-27-23(17-6-5-7-18(10-17)31-4)26-21-9-8-19(11-20(21)24(27)30)32-14-16(3)13-28/h5-11,15-16,28H,12-14H2,1-4H3,(H,25,29)
InChIKeyHARXCZRTOZTTCS-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.60
Rot. Bonds9

About 2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide

2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide (PubChem CID 68523585) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
PubChem CID68523585
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc3ccc(OCC(C)CO)cc3c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C24H29N3O5/c1-15(2)25-22(29)12-27-23(17-6-5-7-18(10-17)31-4)26-21-9-8-19(11-20(21)24(27)30)32-14-16(3)13-28/h5-11,15-16,28H,12-14H2,1-4H3,(H,25,29)
InChIKeyHARXCZRTOZTTCS-UHFFFAOYSA-N
XLogP2.60
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-3-[2-(3-methoxyphenyl)-4-oxo-3-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-6-yl]oxy-2-methylpropyl] methanesulfonate
CID 59511753
2-[6-[(2S)-3-(diethylamino)-2-methylpropoxy]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511766
2-[6-[(2S)-3-hydroxy-2-methylpropoxy]-2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 174560064
2-[6-hydroxy-7-methoxy-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68525567
2-[2-(3-methoxyphenyl)-4-oxo-7-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68522971
2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-methylacetamide
CID 53316999
2-[4-oxo-6-(3-piperidin-1-ylpropoxy)-2-[3-(trifluoromethoxy)phenyl]quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68521682
2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68522664
2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511779
2-[6-[2-fluoro-5-(methylaminomethyl)phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511782
2-[2-(3-ethylphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68525546
N-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide
CID 53322990

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide (CID 68523585) is 2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide is COc1cccc(-c2nc3ccc(OCC(C)CO)cc3c(=O)n2CC(=O)NC(C)C)c1.
What is the InChIKey of 2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is HARXCZRTOZTTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-15(2)25-22(29)12-27-23(17-6-5-7-18(10-17)31-4)26-21-9-8-19(11-20(21)24(27)30)32-14-16(3)13-28/h5-11,15-16,28H,12-14H2,1-4H3,(H,25,29).
What are the key properties of 2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 439.51 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 68523585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).