2-[1-amino-4-(diethylamino)butyl]-5-methyl-3-phenylquinazolin-4-one

C23H30N4O — CID 59841066

IUPAC2-[1-amino-4-(diethylamino)butyl]-5-methyl-3-phenylquinazolin-4-one
SMILESCCN(CC)CCCC(N)c1nc2cccc(C)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C23H30N4O/c1-4-26(5-2)16-10-14-19(24)22-25-20-15-9-11-17(3)21(20)23(28)27(22)18-12-7-6-8-13-18/h6-9,11-13,15,19H,4-5,10,14,16,24H2,1-3H3
InChIKeyLMEDSYXNSPVVDX-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.82
Rot. Bonds8

About 2-[1-amino-4-(diethylamino)butyl]-5-methyl-3-phenylquinazolin-4-one

2-[1-amino-4-(diethylamino)butyl]-5-methyl-3-phenylquinazolin-4-one (PubChem CID 59841066) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[1-amino-4-(diethylamino)butyl]-5-methyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-amino-4-(diethylamino)butyl]-5-methyl-3-phenylquinazolin-4-one
PubChem CID59841066
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name2-[1-amino-4-(diethylamino)butyl]-5-methyl-3-phenylquinazolin-4-one
SMILESCCN(CC)CCCC(N)c1nc2cccc(C)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C23H30N4O/c1-4-26(5-2)16-10-14-19(24)22-25-20-15-9-11-17(3)21(20)23(28)27(22)18-12-7-6-8-13-18/h6-9,11-13,15,19H,4-5,10,14,16,24H2,1-3H3
InChIKeyLMEDSYXNSPVVDX-UHFFFAOYSA-N
XLogP3.82
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R)-1-aminobut-3-ynyl]-5-methyl-3-phenylquinazolin-4-one
CID 124560631
2-(1-aminopropyl)-3-(3,5-difluorophenyl)-5-methylquinazolin-4-one
CID 90232497
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
CID 155191424
2-[1-(benzhydrylideneamino)but-3-ynyl]-5-methyl-3-phenylquinazolin-4-one
CID 59841044
2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride
CID 155191430
2-[(1S)-1-aminoethyl]-5-(difluoromethyl)-3-phenylquinazolin-4-one
CID 90232930
3-[2-amino-4-methyl-6-[1-(5-methyl-4-oxo-3-phenylquinazolin-2-yl)propylamino]pyrimidin-5-yl]-N-ethyl-N-methylprop-2-enamide
CID 123224189
1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716190
tert-butyl-[(1S)-1-[3-(3,5-difluorophenyl)-5-methyl-4-oxoquinazolin-2-yl]propyl]carbamic acid
CID 118276394
2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one
CID 144894826
2-(1-aminopropyl)-5-(difluoromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one
CID 90233159
2-[(1S)-1-aminopropyl]-6-fluoro-3-(3-fluorophenyl)quinazolin-4-one
CID 90235392

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-4-(diethylamino)butyl]-5-methyl-3-phenylquinazolin-4-one?
The IUPAC name of 2-[1-amino-4-(diethylamino)butyl]-5-methyl-3-phenylquinazolin-4-one (CID 59841066) is 2-[1-amino-4-(diethylamino)butyl]-5-methyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[1-amino-4-(diethylamino)butyl]-5-methyl-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[1-amino-4-(diethylamino)butyl]-5-methyl-3-phenylquinazolin-4-one is CCN(CC)CCCC(N)c1nc2cccc(C)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[1-amino-4-(diethylamino)butyl]-5-methyl-3-phenylquinazolin-4-one?
The InChIKey is LMEDSYXNSPVVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-4-26(5-2)16-10-14-19(24)22-25-20-15-9-11-17(3)21(20)23(28)27(22)18-12-7-6-8-13-18/h6-9,11-13,15,19H,4-5,10,14,16,24H2,1-3H3.
What are the key properties of 2-[1-amino-4-(diethylamino)butyl]-5-methyl-3-phenylquinazolin-4-one?
2-[1-amino-4-(diethylamino)butyl]-5-methyl-3-phenylquinazolin-4-one has a molecular weight of 378.52 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-4-(diethylamino)butyl]-5-methyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 59841066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).