7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

C21H20N2O5 — CID 71754037

IUPAC7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCOc1ccc(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)cc1OC
InChIInChI=1S/C21H20N2O5/c1-26-18-8-5-13(10-19(18)27-2)17(24)12-28-14-6-7-16-15(11-14)21(25)23-9-3-4-20(23)22-16/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKeyZIOVESNLTUXFPU-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.62
Rot. Bonds6

About 7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (PubChem CID 71754037) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.

Molecular Properties

Compound Name7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
PubChem CID71754037
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
SMILESCOc1ccc(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)cc1OC
InChIInChI=1S/C21H20N2O5/c1-26-18-8-5-13(10-19(18)27-2)17(24)12-28-14-6-7-16-15(11-14)21(25)23-9-3-4-20(23)22-16/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKeyZIOVESNLTUXFPU-UHFFFAOYSA-N
XLogP2.62
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one with MolForge

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-2-[(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)oxy]acetamide
CID 71691866
N-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide
CID 42507057
(3,4-dimethoxyphenyl)methyl 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 9096994
2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 40816597
4-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide
CID 46261345
3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 46261313
1-[(2,5-dimethoxyphenyl)methyl]-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea
CID 4063066
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 24979902
7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195
N'-(3-methoxybenzoyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide
CID 8873287
2-(4-methoxyphenoxy)ethyl 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
CID 2647094
N'-(2,4-dimethoxyphenyl)-N'-methyl-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)oxamide
CID 23602329

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The IUPAC name of 7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one (CID 71754037) is 7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one.
What is the SMILES notation for 7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The canonical SMILES for 7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is COc1ccc(C(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)cc1OC.
What is the InChIKey of 7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
The InChIKey is ZIOVESNLTUXFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-26-18-8-5-13(10-19(18)27-2)17(24)12-28-14-6-7-16-15(11-14)21(25)23-9-3-4-20(23)22-16/h5-8,10-11H,3-4,9,12H2,1-2H3.
What are the key properties of 7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one?
7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one has a molecular weight of 380.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one is sourced from PubChem (CID 71754037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).