3-(1-aminoethyl)-6-chloroquinazolin-4-one

C10H10ClN3O — CID 117264019

IUPAC3-(1-aminoethyl)-6-chloroquinazolin-4-one
SMILESCC(N)n1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C10H10ClN3O/c1-6(12)14-5-13-9-3-2-7(11)4-8(9)10(14)15/h2-6H,12H2,1H3
InChIKeyXPNJIIHKYUBRMG-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.53
Rot. Bonds1

About 3-(1-aminoethyl)-6-chloroquinazolin-4-one

3-(1-aminoethyl)-6-chloroquinazolin-4-one (PubChem CID 117264019) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 3-(1-aminoethyl)-6-chloroquinazolin-4-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-6-chloroquinazolin-4-one
PubChem CID117264019
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name3-(1-aminoethyl)-6-chloroquinazolin-4-one
SMILESCC(N)n1cnc2ccc(Cl)cc2c1=O
InChIInChI=1S/C10H10ClN3O/c1-6(12)14-5-13-9-3-2-7(11)4-8(9)10(14)15/h2-6H,12H2,1H3
InChIKeyXPNJIIHKYUBRMG-UHFFFAOYSA-N
XLogP1.53
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one
CID 51056181
6-amino-3-propan-2-ylquinazolin-4-one
CID 16641534
3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one
CID 47357057
6-chloro-3-prop-2-enylquinazolin-4-one
CID 171354511
3-(1-aminoethyl)-5-methylquinazolin-4-one
CID 117263645
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 5011290
6-chloro-4-propan-2-ylquinolin-3-amine
CID 105476883
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(1-cyclopropylethyl)acetamide
CID 51216214
butyl 2-(6-chloro-4-oxoquinazolin-3-yl)acetate
CID 78791515
N-[[(2R)-butan-2-yl]carbamoyl]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 8536831
N-(2,4-dichlorophenyl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 4906801
3-amino-7-chloroquinazolin-4-one
CID 82275274

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-6-chloroquinazolin-4-one?
The IUPAC name of 3-(1-aminoethyl)-6-chloroquinazolin-4-one (CID 117264019) is 3-(1-aminoethyl)-6-chloroquinazolin-4-one.
What is the SMILES notation for 3-(1-aminoethyl)-6-chloroquinazolin-4-one?
The canonical SMILES for 3-(1-aminoethyl)-6-chloroquinazolin-4-one is CC(N)n1cnc2ccc(Cl)cc2c1=O.
What is the InChIKey of 3-(1-aminoethyl)-6-chloroquinazolin-4-one?
The InChIKey is XPNJIIHKYUBRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-6(12)14-5-13-9-3-2-7(11)4-8(9)10(14)15/h2-6H,12H2,1H3.
What are the key properties of 3-(1-aminoethyl)-6-chloroquinazolin-4-one?
3-(1-aminoethyl)-6-chloroquinazolin-4-one has a molecular weight of 223.66 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-6-chloroquinazolin-4-one is sourced from PubChem (CID 117264019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).