N-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide

C24H31BrN4O2 — CID 18887526

IUPACN-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide
SMILESCCCCCCCC(=O)NN1C(=O)c2cc(Br)ccc2NC1c1ccc(N(C)C)cc1
InChIInChI=1S/C24H31BrN4O2/c1-4-5-6-7-8-9-22(30)27-29-23(17-10-13-19(14-11-17)28(2)3)26-21-15-12-18(25)16-20(21)24(29)31/h10-16,23,26H,4-9H2,1-3H3,(H,27,30)
InChIKeyNZRBMJVFOVORAF-UHFFFAOYSA-N
MW487.44 g/mol
LogP5.47
Rot. Bonds9

About N-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide

N-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide (PubChem CID 18887526) has the molecular formula C24H31BrN4O2 and a molecular weight of 487.44 g/mol. Its IUPAC name is N-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide.

Molecular Properties

Compound NameN-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide
PubChem CID18887526
Molecular FormulaC24H31BrN4O2
Molecular Weight487.44 g/mol
Exact Mass486.16
IUPAC NameN-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide
SMILESCCCCCCCC(=O)NN1C(=O)c2cc(Br)ccc2NC1c1ccc(N(C)C)cc1
InChIInChI=1S/C24H31BrN4O2/c1-4-5-6-7-8-9-22(30)27-29-23(17-10-13-19(14-11-17)28(2)3)26-21-15-12-18(25)16-20(21)24(29)31/h10-16,23,26H,4-9H2,1-3H3,(H,27,30)
InChIKeyNZRBMJVFOVORAF-UHFFFAOYSA-N
XLogP5.47
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.44
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
CID 18887465
N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenoxyacetamide
CID 18887544
N-[6-chloro-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(2-methylphenoxy)acetamide
CID 18887047
N-[2-(furan-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide
CID 18887112
4-bromo-N-[6-chloro-2-(4-methylphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 18886973
N-[[4-(dimethylamino)phenyl]methyl]octadecanamide
CID 154276818
2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 42915079
(2R)-2-[4-(dimethylamino)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009003
2-(4-bromophenoxy)-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 18887275
N-[(4-bromo-N-methylanilino)methyl]octadecanamide
CID 102589479
N-[(2S)-6-bromo-4-oxo-2-(2,4,6-trimethylphenyl)-1,2-dihydroquinazolin-3-yl]benzamide
CID 1009139
N-[6-chloro-2-(4-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 18887035

Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide?
The IUPAC name of N-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide (CID 18887526) is N-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide.
What is the SMILES notation for N-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide?
The canonical SMILES for N-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide is CCCCCCCC(=O)NN1C(=O)c2cc(Br)ccc2NC1c1ccc(N(C)C)cc1.
What is the InChIKey of N-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide?
The InChIKey is NZRBMJVFOVORAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrN4O2/c1-4-5-6-7-8-9-22(30)27-29-23(17-10-13-19(14-11-17)28(2)3)26-21-15-12-18(25)16-20(21)24(29)31/h10-16,23,26H,4-9H2,1-3H3,(H,27,30).
What are the key properties of N-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide?
N-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide has a molecular weight of 487.44 g/mol, XLogP of 5.47, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-2-[4-(dimethylamino)phenyl]-4-oxo-1,2-dihydroquinazolin-3-yl]octanamide is sourced from PubChem (CID 18887526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).