2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide

C28H34N4O3 — CID 68522664

IUPAC2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc3ccc(C=CCCN4CCCC4)cc3c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C28H34N4O3/c1-20(2)29-26(33)19-32-27(22-10-8-11-23(18-22)35-3)30-25-13-12-21(17-24(25)28(32)34)9-4-5-14-31-15-6-7-16-31/h4,8-13,17-18,20H,5-7,14-16,19H2,1-3H3,(H,29,33)
InChIKeyMBKHRPNCGDGCLN-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.10
Rot. Bonds9

About 2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide

2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide (PubChem CID 68522664) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide
PubChem CID68522664
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2nc3ccc(C=CCCN4CCCC4)cc3c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C28H34N4O3/c1-20(2)29-26(33)19-32-27(22-10-8-11-23(18-22)35-3)30-25-13-12-21(17-24(25)28(32)34)9-4-5-14-31-15-6-7-16-31/h4,8-13,17-18,20H,5-7,14-16,19H2,1-3H3,(H,29,33)
InChIKeyMBKHRPNCGDGCLN-UHFFFAOYSA-N
XLogP4.10
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[2-(3-methoxyphenyl)-6-[3-(morpholin-4-ylmethyl)phenyl]-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511779
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
2-[4-oxo-6-(3-piperidin-1-ylpropoxy)-2-[3-(trifluoromethoxy)phenyl]quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68521682
2-[2-(3-ethylphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 68525546
2-[6-[(2S)-3-(diethylamino)-2-methylpropoxy]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511766
[(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-[2-fluoro-5-(methylaminomethyl)phenyl]-2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-N-propan-2-ylacetamide
CID 59511782
2-[2-(3,5-dimethoxyphenyl)-4-oxo-6-(4-propan-2-yl-1,4-diazepan-1-yl)quinazolin-3-yl]-N-propan-2-ylacetamide
CID 24965442
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-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide (CID 68522664) is 2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide is COc1cccc(-c2nc3ccc(C=CCCN4CCCC4)cc3c(=O)n2CC(=O)NC(C)C)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide?
The InChIKey is MBKHRPNCGDGCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-20(2)29-26(33)19-32-27(22-10-8-11-23(18-22)35-3)30-25-13-12-21(17-24(25)28(32)34)9-4-5-14-31-15-6-7-16-31/h4,8-13,17-18,20H,5-7,14-16,19H2,1-3H3,(H,29,33).
What are the key properties of 2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide?
2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide has a molecular weight of 474.61 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)-4-oxo-6-(4-pyrrolidin-1-ylbut-1-enyl)quinazolin-3-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 68522664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).