2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one

C17H15Cl2N3O — CID 155000155

IUPAC2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one
SMILESCC(N)c1nc2cccc(Cl)c2c(=O)n1Cc1ccccc1Cl
InChIInChI=1S/C17H15Cl2N3O/c1-10(20)16-21-14-8-4-7-13(19)15(14)17(23)22(16)9-11-5-2-3-6-12(11)18/h2-8,10H,9,20H2,1H3
InChIKeyKEPXMBBPNBODRY-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.77
Rot. Bonds3

About 2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one

2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one (PubChem CID 155000155) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one
PubChem CID155000155
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one
SMILESCC(N)c1nc2cccc(Cl)c2c(=O)n1Cc1ccccc1Cl
InChIInChI=1S/C17H15Cl2N3O/c1-10(20)16-21-14-8-4-7-13(19)15(14)17(23)22(16)9-11-5-2-3-6-12(11)18/h2-8,10H,9,20H2,1H3
InChIKeyKEPXMBBPNBODRY-UHFFFAOYSA-N
XLogP3.77
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82024681
2-(1-aminoethyl)-5-chloro-3-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-one
CID 118573848
3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
CID 123454317
2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one
CID 118573947
2-(1-aminoethyl)-5-chloro-3-(3-methoxy-3-methylbutyl)quinazolin-4-one
CID 118574153
3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide
CID 118574062
2-[[(1S)-1-[5-chloro-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one
CID 154628094
2-(1-aminoethyl)-5-chloro-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 118573634
2-[(1S)-1-aminoethyl]-5-chloro-3-(1H-pyrrol-2-yl)quinazolin-4-one
CID 118575357
2,5-dichloro-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117263733
6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 115470773
2-[(1S)-1-aminoethyl]-5-chloro-3-[3-(difluoromethyl)phenyl]quinazolin-4-one
CID 90234520

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one?
The IUPAC name of 2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one (CID 155000155) is 2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one is CC(N)c1nc2cccc(Cl)c2c(=O)n1Cc1ccccc1Cl.
What is the InChIKey of 2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one?
The InChIKey is KEPXMBBPNBODRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c1-10(20)16-21-14-8-4-7-13(19)15(14)17(23)22(16)9-11-5-2-3-6-12(11)18/h2-8,10H,9,20H2,1H3.
What are the key properties of 2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one?
2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one has a molecular weight of 348.23 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 155000155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).