3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one

C22H30N4O — CID 5131768

IUPAC3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one
SMILESCCN(CC)CCN1C(=O)c2ccccc2NC1c1ccc(N(C)C)cc1
InChIInChI=1S/C22H30N4O/c1-5-25(6-2)15-16-26-21(17-11-13-18(14-12-17)24(3)4)23-20-10-8-7-9-19(20)22(26)27/h7-14,21,23H,5-6,15-16H2,1-4H3
InChIKeyGMRBPSGIDSVDTP-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.66
Rot. Bonds7

About 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one

3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 5131768) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID5131768
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one
SMILESCCN(CC)CCN1C(=O)c2ccccc2NC1c1ccc(N(C)C)cc1
InChIInChI=1S/C22H30N4O/c1-5-25(6-2)15-16-26-21(17-11-13-18(14-12-17)24(3)4)23-20-10-8-7-9-19(20)22(26)27/h7-14,21,23H,5-6,15-16H2,1-4H3
InChIKeyGMRBPSGIDSVDTP-UHFFFAOYSA-N
XLogP3.66
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one (CID 5131768) is 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one is CCN(CC)CCN1C(=O)c2ccccc2NC1c1ccc(N(C)C)cc1.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is GMRBPSGIDSVDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-5-25(6-2)15-16-26-21(17-11-13-18(14-12-17)24(3)4)23-20-10-8-7-9-19(20)22(26)27/h7-14,21,23H,5-6,15-16H2,1-4H3.
What are the key properties of 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one?
3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 366.51 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 5131768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).