2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide

C31H34N4O4 — CID 59511779

IUPAC2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc3ccc(-c4cccc(CN5CCOCC5)c4)cc3c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C31H34N4O4/c1-21(2)32-29(36)20-35-30(25-8-5-9-26(17-25)38-3)33-28-11-10-24(18-27(28)31(35)37)23-7-4-6-22(16-23)19-34-12-14-39-15-13-34/h4-11,16-18,21H,12-15,19-20H2,1-3H3,(H,32,36)
InChIKeyYSTMWGLKDFZOSO-UHFFFAOYSA-N
MW526.64 g/mol
LogP4.10
Rot. Bonds8

About 2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide

2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide (PubChem CID 59511779) has the molecular formula C31H34N4O4 and a molecular weight of 526.64 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
PubChem CID59511779
Molecular FormulaC31H34N4O4
Molecular Weight526.64 g/mol
Exact Mass526.26
IUPAC Name2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc3ccc(-c4cccc(CN5CCOCC5)c4)cc3c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C31H34N4O4/c1-21(2)32-29(36)20-35-30(25-8-5-9-26(17-25)38-3)33-28-11-10-24(18-27(28)31(35)37)23-7-4-6-22(16-23)19-34-12-14-39-15-13-34/h4-11,16-18,21H,12-15,19-20H2,1-3H3,(H,32,36)
InChIKeyYSTMWGLKDFZOSO-UHFFFAOYSA-N
XLogP4.10
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68522664
2-[6-[2-fluoro-5-(methylaminomethyl)phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511782
2-[6-hydroxy-7-methoxy-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68525567
2-[6-(3-hydroxy-2-methylpropoxy)-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 68523585
N-tert-butyl-2-[2-(4-fluoro-3-methoxyphenyl)-4-oxo-6-[3-(pyrrolidin-1-ylmethyl)phenyl]quinazolin-3-yl]acetamide
CID 68523698
N-cyclopropyl-2-[2-(3-methoxyphenyl)-6-(3-morpholin-4-ylpropoxy)-4-oxoquinazolin-3-yl]acetamide
CID 53322990
[(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-[2-(3-methoxyphenyl)-4-oxo-7-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68522971
2-[6-[(2S)-3-(diethylamino)-2-methylpropoxy]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511766
2-[2-(3-ethylphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68525546
2-[6-[3-(azetidin-1-ylmethyl)phenyl]-2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-(cyclopropylmethyl)acetamide
CID 135019471
2-[4-oxo-2-phenyl-6-[3-(piperidin-1-ylmethyl)phenyl]quinazolin-3-yl]-N-prop-2-enylacetamide
CID 59511794

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide (CID 59511779) is 2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide is COc1cccc(-c2nc3ccc(-c4cccc(CN5CCOCC5)c4)cc3c(=O)n2CC(=O)NC(C)C)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is YSTMWGLKDFZOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O4/c1-21(2)32-29(36)20-35-30(25-8-5-9-26(17-25)38-3)33-28-11-10-24(18-27(28)31(35)37)23-7-4-6-22(16-23)19-34-12-14-39-15-13-34/h4-11,16-18,21H,12-15,19-20H2,1-3H3,(H,32,36).
What are the key properties of 2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide?
2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 526.64 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 59511779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).