2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one

C14H18ClN3O2 — CID 118573947

IUPAC2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one
SMILESCCOCCn1c(C(C)N)nc2cccc(Cl)c2c1=O
InChIInChI=1S/C14H18ClN3O2/c1-3-20-8-7-18-13(9(2)16)17-11-6-4-5-10(15)12(11)14(18)19/h4-6,9H,3,7-8,16H2,1-2H3
InChIKeyKWYKAIYYRYSLKH-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.11
Rot. Bonds5

About 2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one

2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one (PubChem CID 118573947) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one
PubChem CID118573947
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one
SMILESCCOCCn1c(C(C)N)nc2cccc(Cl)c2c1=O
InChIInChI=1S/C14H18ClN3O2/c1-3-20-8-7-18-13(9(2)16)17-11-6-4-5-10(15)12(11)14(18)19/h4-6,9H,3,7-8,16H2,1-2H3
InChIKeyKWYKAIYYRYSLKH-UHFFFAOYSA-N
XLogP2.11
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 155000155
2-(1-aminoethyl)-5-chloro-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 118573634
3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
CID 123454317
2-(1-aminoethyl)-5-chloro-3-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-one
CID 118573848
(1S)-1-[7-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
CID 97179650
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
CID 155191424
3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one
CID 117263724
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-(1H-pyrrol-2-yl)quinazolin-4-one
CID 118575357
2-[(1S)-1-aminopropyl]-5-chloro-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 118575431

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one?
The IUPAC name of 2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one (CID 118573947) is 2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one?
The canonical SMILES for 2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one is CCOCCn1c(C(C)N)nc2cccc(Cl)c2c1=O.
What is the InChIKey of 2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one?
The InChIKey is KWYKAIYYRYSLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-3-20-8-7-18-13(9(2)16)17-11-6-4-5-10(15)12(11)14(18)19/h4-6,9H,3,7-8,16H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one?
2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one has a molecular weight of 295.77 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one is sourced from PubChem (CID 118573947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).