2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride

C17H17Cl2N3O — CID 155191424

IUPAC2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
SMILESCCC(N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cl
InChIInChI=1S/C17H16ClN3O.ClH/c1-2-13(19)16-20-14-10-6-9-12(18)15(14)17(22)21(16)11-7-4-3-5-8-11;/h3-10,13H,2,19H2,1H3;1H
InChIKeyIWFIUQFQKOMZMT-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.87
Rot. Bonds3

About 2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride

2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride (PubChem CID 155191424) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is 2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
PubChem CID155191424
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
SMILESCCC(N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cl
InChIInChI=1S/C17H16ClN3O.ClH/c1-2-13(19)16-20-14-10-6-9-12(18)15(14)17(22)21(16)11-7-4-3-5-8-11;/h3-10,13H,2,19H2,1H3;1H
InChIKeyIWFIUQFQKOMZMT-UHFFFAOYSA-N
XLogP3.87
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-1-aminopropyl]-5-chloro-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118575431
2-[(1R)-1-aminobut-3-ynyl]-5-methyl-3-phenylquinazolin-4-one
CID 124560631
2-[(1S)-1-amino-3-methylbutyl]-5-chloro-3-(3,5-difluorophenyl)quinazolin-4-one
CID 90235635
5-chloro-2-[1-[(5-fluoroquinazolin-4-yl)amino]propyl]-3-phenylquinazolin-4-one
CID 155191460
2-[(1S)-1-aminopropyl]-5-chloro-3-(4-fluoroanilino)quinazolin-4-one;hydrochloride
CID 141459104
2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one
CID 145017894
2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one
CID 90232497
2-[(1S)-1-aminoethyl]-5-chloro-3-[3-(difluoromethyl)phenyl]quinazolin-4-one
CID 90234520
2-[(1S)-1-amino-3,3,3-trifluoropropyl]-5-chloro-3-(3,5-difluorophenyl)quinazolin-4-one
CID 90235844
2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride
CID 155191430
2-[(1S)-1-aminopropyl]-6-fluoro-3-(3-fluorophenyl)quinazolin-4-one
CID 90235392
2-(1-aminopropyl)-5-(difluoromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one
CID 90233159

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride?
The IUPAC name of 2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride (CID 155191424) is 2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride.
What is the SMILES notation for 2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride?
The canonical SMILES for 2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride is CCC(N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cl.
What is the InChIKey of 2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride?
The InChIKey is IWFIUQFQKOMZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O.ClH/c1-2-13(19)16-20-14-10-6-9-12(18)15(14)17(22)21(16)11-7-4-3-5-8-11;/h3-10,13H,2,19H2,1H3;1H.
What are the key properties of 2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride?
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride has a molecular weight of 350.25 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride is sourced from PubChem (CID 155191424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).