3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one

C19H21N3O — CID 22484643

IUPAC3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
SMILESCCNCCn1c(-c2ccc(C)cc2)nc2ccccc2c1=O
InChIInChI=1S/C19H21N3O/c1-3-20-12-13-22-18(15-10-8-14(2)9-11-15)21-17-7-5-4-6-16(17)19(22)23/h4-11,20H,3,12-13H2,1-2H3
InChIKeyPPHKMPOLERQBPB-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.98
Rot. Bonds5

About 3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one

3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one (PubChem CID 22484643) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
PubChem CID22484643
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
SMILESCCNCCn1c(-c2ccc(C)cc2)nc2ccccc2c1=O
InChIInChI=1S/C19H21N3O/c1-3-20-12-13-22-18(15-10-8-14(2)9-11-15)21-17-7-5-4-6-16(17)19(22)23/h4-11,20H,3,12-13H2,1-2H3
InChIKeyPPHKMPOLERQBPB-UHFFFAOYSA-N
XLogP2.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
3-hexyl-2-phenylquinazolin-4-one
CID 7559853
2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one
CID 23963016
3-(2-hydroxyethyl)-2-phenylquinazolin-4-one
CID 854542
3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
CID 23736145
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993
3-(2-bromoethyl)-2-(4-chlorophenyl)quinazolin-4-one
CID 18315900
3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
CID 142893421
2-(4-methoxyphenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]quinazolin-4-one
CID 2041529
bis(3-(4-oxo-2-phenylquinazolin-3-yl)propanoic acid);piperazine
CID 3053641
3-[5-(4-ethoxyphenoxy)pentyl]-2-(4-methoxyphenyl)quinazolin-4-one
CID 2010216

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one (CID 22484643) is 3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one is CCNCCn1c(-c2ccc(C)cc2)nc2ccccc2c1=O.
What is the InChIKey of 3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one?
The InChIKey is PPHKMPOLERQBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-20-12-13-22-18(15-10-8-14(2)9-11-15)21-17-7-5-4-6-16(17)19(22)23/h4-11,20H,3,12-13H2,1-2H3.
What are the key properties of 3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one?
3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one has a molecular weight of 307.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 22484643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).