N-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide

C17H22N4O3 — CID 42507057

IUPACN-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide
SMILESCN(C)CCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3
InChIInChI=1S/C17H22N4O3/c1-20(2)9-7-18-16(22)11-24-12-5-6-14-13(10-12)17(23)21-8-3-4-15(21)19-14/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,18,22)
InChIKeyFAMXZWLRFLFMRH-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.40
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide

N-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide (PubChem CID 42507057) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide
PubChem CID42507057
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide
SMILESCN(C)CCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3
InChIInChI=1S/C17H22N4O3/c1-20(2)9-7-18-16(22)11-24-12-5-6-14-13(10-12)17(23)21-8-3-4-15(21)19-14/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,18,22)
InChIKeyFAMXZWLRFLFMRH-UHFFFAOYSA-N
XLogP0.40
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 40816597
7-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 71754037
N-[2-(dimethylamino)ethyl]-2-quinoxalin-6-yloxyacetamide
CID 51362730
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
N-(2-methoxyethyl)-N'-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)propanediamide
CID 20890280
7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195
N-[2-(4-tert-butylphenoxy)ethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 9490164
4-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide
CID 46261345
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
2-(3-bromo-5-iodophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 175686805
N-[2-(dimethylamino)ethyl]-2-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxyacetamide
CID 162755000

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide (CID 42507057) is N-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide is CN(C)CCNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCC3.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide?
The InChIKey is FAMXZWLRFLFMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-20(2)9-7-18-16(22)11-24-12-5-6-14-13(10-12)17(23)21-8-3-4-15(21)19-14/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide?
N-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide has a molecular weight of 330.39 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)oxy]acetamide is sourced from PubChem (CID 42507057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).