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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Related Compounds

(2R)-2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009003
2-[4-(dimethylamino)phenyl]-3-ethyl-1,2-dihydroquinazolin-4-one
CID 54778083
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
(2S)-2-(3,4-dichlorophenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 875044
(2S)-2-[4-(dimethylamino)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one
CID 7195061
methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate
CID 9008981
2-[4-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 54778133
(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 40709314
2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
CID 5084249
3-butyl-2-[4-(2-phenoxyethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780096
2-(3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 51172490
(2S)-3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131631

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).