3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one

C10H10ClN3O2 — CID 117264743

IUPAC3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one
SMILESCC(N)n1c(Cl)nc2c(O)cccc2c1=O
InChIInChI=1S/C10H10ClN3O2/c1-5(12)14-9(16)6-3-2-4-7(15)8(6)13-10(14)11/h2-5,15H,12H2,1H3
InChIKeySZMZJRDUQKWPDS-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.23
Rot. Bonds1

About 3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one

3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one (PubChem CID 117264743) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one
PubChem CID117264743
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one
SMILESCC(N)n1c(Cl)nc2c(O)cccc2c1=O
InChIInChI=1S/C10H10ClN3O2/c1-5(12)14-9(16)6-3-2-4-7(15)8(6)13-10(14)11/h2-5,15H,12H2,1H3
InChIKeySZMZJRDUQKWPDS-UHFFFAOYSA-N
XLogP1.23
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-aminoethyl)-2-chloro-7-(trifluoromethyl)quinazolin-4-one
CID 117264348
2-chloro-8-fluoro-3-(2-hydroxypropyl)quinazolin-4-one
CID 117264526
2-[(1S)-1-aminoethyl]-8-chloro-3-(3,5-difluorophenyl)quinazolin-4-one
CID 90235637
2-chloro-5-hydroxy-3-[1-(methylamino)ethyl]quinazolin-4-one
CID 117263689
2-[(1S)-1-aminoethyl]-3-(3-chlorophenyl)-8-methylquinazolin-4-one
CID 90235858
(1E)-10-hydroxy-1-(2-methylpropylidene)-4-propan-2-yl-4H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 133053839
3-(1-aminoethyl)-5-hydroxy-1-methylquinazoline-2,4-dione
CID 117262279
2-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid
CID 117264841
8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one
CID 170753339
2-amino-8-chloro-3-methylquinazolin-4-one
CID 84780957
4-hydroxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 45118325
2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one
CID 90233110

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one?
The IUPAC name of 3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one (CID 117264743) is 3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one.
What is the SMILES notation for 3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one?
The canonical SMILES for 3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one is CC(N)n1c(Cl)nc2c(O)cccc2c1=O.
What is the InChIKey of 3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one?
The InChIKey is SZMZJRDUQKWPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-5(12)14-9(16)6-3-2-4-7(15)8(6)13-10(14)11/h2-5,15H,12H2,1H3.
What are the key properties of 3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one?
3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one has a molecular weight of 239.66 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-2-chloro-8-hydroxyquinazolin-4-one is sourced from PubChem (CID 117264743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).