1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone

C18H24N4O3 — CID 70722433

IUPAC1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
SMILESCN(C)C[C@@H]1CN(C(=O)COc2ncnc3ccccc23)C[C@@H]1CO
InChIInChI=1S/C18H24N4O3/c1-21(2)7-13-8-22(9-14(13)10-23)17(24)11-25-18-15-5-3-4-6-16(15)19-12-20-18/h3-6,12-14,23H,7-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyUWVJDUMJDAGRRJ-ZIAGYGMSSA-N
MW344.42 g/mol
LogP0.64
Rot. Bonds6

About 1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone

1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone (PubChem CID 70722433) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
PubChem CID70722433
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
SMILESCN(C)C[C@@H]1CN(C(=O)COc2ncnc3ccccc23)C[C@@H]1CO
InChIInChI=1S/C18H24N4O3/c1-21(2)7-13-8-22(9-14(13)10-23)17(24)11-25-18-15-5-3-4-6-16(15)19-12-20-18/h3-6,12-14,23H,7-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyUWVJDUMJDAGRRJ-ZIAGYGMSSA-N
XLogP0.64
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 4164452
1-[3-(4-methoxy-2-pyridinyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 166318304
1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-4-phenoxybutan-1-one
CID 72863375
4-ethyl-3-[1-(2-quinazolin-4-yloxyacetyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 50969210
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 90649083
N-methyl-2-quinazolin-4-yloxyacetamide
CID 2422162
1-[4-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 86285494
1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone
CID 5000915
1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 72940228
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-quinazolin-4-yloxyacetamide
CID 45200689
1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone
CID 39834425
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-quinazolin-4-yloxyethanone
CID 91765869

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone?
The IUPAC name of 1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone (CID 70722433) is 1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone.
What is the SMILES notation for 1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone?
The canonical SMILES for 1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone is CN(C)C[C@@H]1CN(C(=O)COc2ncnc3ccccc23)C[C@@H]1CO.
What is the InChIKey of 1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone?
The InChIKey is UWVJDUMJDAGRRJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-21(2)7-13-8-22(9-14(13)10-23)17(24)11-25-18-15-5-3-4-6-16(15)19-12-20-18/h3-6,12-14,23H,7-11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone?
1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone has a molecular weight of 344.42 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-quinazolin-4-yloxyethanone is sourced from PubChem (CID 70722433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).