2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one

C22H28N4O — CID 4996568

IUPAC2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one
SMILESCCC(NCCN(C)C)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C22H28N4O/c1-5-19(23-13-14-25(3)4)21-24-20-12-7-6-11-18(20)22(27)26(21)17-10-8-9-16(2)15-17/h6-12,15,19,23H,5,13-14H2,1-4H3
InChIKeyGAKMJXKJVIQCRW-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.30
Rot. Bonds7

About 2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one

2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one (PubChem CID 4996568) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one
PubChem CID4996568
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one
SMILESCCC(NCCN(C)C)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
InChIInChI=1S/C22H28N4O/c1-5-19(23-13-14-25(3)4)21-24-20-12-7-6-11-18(20)22(27)26(21)17-10-8-9-16(2)15-17/h6-12,15,19,23H,5,13-14H2,1-4H3
InChIKeyGAKMJXKJVIQCRW-UHFFFAOYSA-N
XLogP3.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chlorophenyl)-2-[(1R)-1-(propylamino)propyl]quinazolin-4-one
CID 7288970
N-[2-(dimethylamino)ethyl]-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42657555
N-[2-(dimethylamino)ethyl]-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]decanamide
CID 4600532
N,3-dimethyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]butanamide
CID 42719114
N-butyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide
CID 42718462
N-[(1S)-1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbutanamide
CID 7481982
1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea
CID 42718648
3-(4-ethylphenyl)-2-[(1S)-1-(pentylamino)propyl]quinazolin-4-one
CID 7201744
ethyl 4-[[2-(dimethylamino)ethyl-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]carbamoyl]amino]benzoate
CID 42718592
4-tert-butyl-N-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 3941943
1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42718679
N-benzyl-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719081

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one (CID 4996568) is 2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one is CCC(NCCN(C)C)c1nc2ccccc2c(=O)n1-c1cccc(C)c1.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one?
The InChIKey is GAKMJXKJVIQCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-5-19(23-13-14-25(3)4)21-24-20-12-7-6-11-18(20)22(27)26(21)17-10-8-9-16(2)15-17/h6-12,15,19,23H,5,13-14H2,1-4H3.
What are the key properties of 2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one?
2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one has a molecular weight of 364.49 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethylamino]propyl]-3-(3-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 4996568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).