2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one

C17H19N3O2 — CID 139327885

IUPAC2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one
SMILESCCC(N)c1nc2cccc(C#CCO)c2c(=O)n1C1CC1
InChIInChI=1S/C17H19N3O2/c1-2-13(18)16-19-14-7-3-5-11(6-4-10-21)15(14)17(22)20(16)12-8-9-12/h3,5,7,12-13,21H,2,8-10,18H2,1H3
InChIKeyHVTCTYYOZVZPBI-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.49
Rot. Bonds3

About 2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one

2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one (PubChem CID 139327885) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one
PubChem CID139327885
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one
SMILESCCC(N)c1nc2cccc(C#CCO)c2c(=O)n1C1CC1
InChIInChI=1S/C17H19N3O2/c1-2-13(18)16-19-14-7-3-5-11(6-4-10-21)15(14)17(22)20(16)12-8-9-12/h3,5,7,12-13,21H,2,8-10,18H2,1H3
InChIKeyHVTCTYYOZVZPBI-UHFFFAOYSA-N
XLogP1.49
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-cyclopentyl-2-(4-methylpentan-2-yl)quinazolin-4-one
CID 123674894
2-[(1S)-1-[[6-amino-5-[2-(3-aminophenyl)ethynyl]pyrimidin-4-yl]amino]propyl]-5-chloro-3-cyclopropylquinazolin-4-one
CID 118515811
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
CID 155191424
2-[(1S)-1-[(6-amino-5-ethynylpyrimidin-4-yl)amino]ethyl]-5-chloro-3-cyclopropylquinazolin-4-one
CID 118522306
N-[(1S)-1-[3-cyclopropyl-5-(2-cyclopropylethynyl)-4-oxoquinazolin-2-yl]ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118031867
2-[(1S)-1-aminopropyl]-5-chloro-3-(4-fluoroanilino)quinazolin-4-one;hydrochloride
CID 141459104
[(1S)-1-[5-chloro-3-[3-fluoro-3-(hydroxymethyl)cyclobutyl]-4-oxoquinazolin-2-yl]ethyl] carbamate
CID 175391526
2-[(1S)-1-aminopropyl]-5-chloro-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118575431
tert-butyl-[1-[3-cyclopropyl-5-(1-methylpyrazol-4-yl)-4-oxoquinazolin-2-yl]propyl]carbamic acid
CID 122654983
2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]quinazolin-4-one
CID 118572366
5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one
CID 144824418
2-amino-N-[(1S)-1-[3-cyclopropyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118003543

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one?
The IUPAC name of 2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one (CID 139327885) is 2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one.
What is the SMILES notation for 2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one?
The canonical SMILES for 2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one is CCC(N)c1nc2cccc(C#CCO)c2c(=O)n1C1CC1.
What is the InChIKey of 2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one?
The InChIKey is HVTCTYYOZVZPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-13(18)16-19-14-7-3-5-11(6-4-10-21)15(14)17(22)20(16)12-8-9-12/h3,5,7,12-13,21H,2,8-10,18H2,1H3.
What are the key properties of 2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one?
2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one has a molecular weight of 297.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-3-cyclopropyl-5-(3-hydroxyprop-1-ynyl)quinazolin-4-one is sourced from PubChem (CID 139327885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).