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

C19H23N3O — CID 42915079

IUPAC2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1ccc(N(C)C)cc1
InChIInChI=1S/C19H23N3O/c1-4-13-22-18(14-9-11-15(12-10-14)21(2)3)20-17-8-6-5-7-16(17)19(22)23/h5-12,18,20H,4,13H2,1-3H3
InChIKeyVVBRECIRPRGPCD-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.73
Rot. Bonds4

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

2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one (PubChem CID 42915079) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
PubChem CID42915079
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
SMILESCCCN1C(=O)c2ccccc2NC1c1ccc(N(C)C)cc1
InChIInChI=1S/C19H23N3O/c1-4-13-22-18(14-9-11-15(12-10-14)21(2)3)20-17-8-6-5-7-16(17)19(22)23/h5-12,18,20H,4,13H2,1-3H3
InChIKeyVVBRECIRPRGPCD-UHFFFAOYSA-N
XLogP3.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one (CID 42915079) is 2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one is CCCN1C(=O)c2ccccc2NC1c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one?
The InChIKey is VVBRECIRPRGPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-4-13-22-18(14-9-11-15(12-10-14)21(2)3)20-17-8-6-5-7-16(17)19(22)23/h5-12,18,20H,4,13H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one?
2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one has a molecular weight of 309.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 42915079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).