3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one

C10H11ClN4O — CID 123454317

IUPAC3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
SMILESCC(N)c1nc2cccc(Cl)c2c(=O)n1N
InChIInChI=1S/C10H11ClN4O/c1-5(12)9-14-7-4-2-3-6(11)8(7)10(16)15(9)13/h2-5H,12-13H2,1H3
InChIKeyHFWPUTYGDTYYRR-UHFFFAOYSA-N
MW238.68 g/mol
LogP0.78
Rot. Bonds1

About 3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one

3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one (PubChem CID 123454317) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one.

Molecular Properties

Compound Name3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
PubChem CID123454317
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
SMILESCC(N)c1nc2cccc(Cl)c2c(=O)n1N
InChIInChI=1S/C10H11ClN4O/c1-5(12)9-14-7-4-2-3-6(11)8(7)10(16)15(9)13/h2-5H,12-13H2,1H3
InChIKeyHFWPUTYGDTYYRR-UHFFFAOYSA-N
XLogP0.78
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 155000155
2-[(1S)-1-aminoethyl]-5-chloro-3-(1H-pyrrol-2-yl)quinazolin-4-one
CID 118575357
2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one
CID 118573947
2-[(1S)-1-aminoethyl]-5-chloro-3-[3-(difluoromethyl)phenyl]quinazolin-4-one
CID 90234520
3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide
CID 118574062
2-(1-aminoethyl)-5-chloro-3-(3-methoxy-3-methylbutyl)quinazolin-4-one
CID 118574153
2-(1-aminoethyl)-5-chloro-3-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-one
CID 118573848
2-(1-aminoethyl)-5-chloro-3-(4-fluoro-2,6-dimethylanilino)quinazolin-4-one
CID 123299615
2-(1-aminoethyl)-5-chloro-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 118573634
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
CID 155191424
2-[(1S)-1-aminoethyl]-5-chloro-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]quinazolin-4-one
CID 118572548
2-[(1S)-1-aminoethyl]-5-chloro-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]quinazolin-4-one
CID 118572366

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one?
The IUPAC name of 3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one (CID 123454317) is 3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one.
What is the SMILES notation for 3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one?
The canonical SMILES for 3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one is CC(N)c1nc2cccc(Cl)c2c(=O)n1N.
What is the InChIKey of 3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one?
The InChIKey is HFWPUTYGDTYYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-5(12)9-14-7-4-2-3-6(11)8(7)10(16)15(9)13/h2-5H,12-13H2,1H3.
What are the key properties of 3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one?
3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one has a molecular weight of 238.68 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one is sourced from PubChem (CID 123454317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).