3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one

C33H31BrN4O2 — CID 42719950

IUPAC3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N1CCN(C(=O)c2ccc3ccccc3c2)C(C)C1
InChIInChI=1S/C33H31BrN4O2/c1-3-30(31-35-29-11-7-6-10-28(29)33(40)38(31)27-16-14-26(34)15-17-27)36-18-19-37(22(2)21-36)32(39)25-13-12-23-8-4-5-9-24(23)20-25/h4-17,20,22,30H,3,18-19,21H2,1-2H3
InChIKeyGANQGXFBFBJXMX-UHFFFAOYSA-N
MW595.54 g/mol
LogP6.60
Rot. Bonds5

About 3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one

3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one (PubChem CID 42719950) has the molecular formula C33H31BrN4O2 and a molecular weight of 595.54 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one
PubChem CID42719950
Molecular FormulaC33H31BrN4O2
Molecular Weight595.54 g/mol
Exact Mass594.16
IUPAC Name3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N1CCN(C(=O)c2ccc3ccccc3c2)C(C)C1
InChIInChI=1S/C33H31BrN4O2/c1-3-30(31-35-29-11-7-6-10-28(29)33(40)38(31)27-16-14-26(34)15-17-27)36-18-19-37(22(2)21-36)32(39)25-13-12-23-8-4-5-9-24(23)20-25/h4-17,20,22,30H,3,18-19,21H2,1-2H3
InChIKeyGANQGXFBFBJXMX-UHFFFAOYSA-N
XLogP6.60
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.54
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one with MolForge

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Related Compounds

3-(4-bromophenyl)-2-[1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]ethyl]quinazolin-4-one
CID 3959515
2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 42714630
3-methyl-2-[1-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714658
4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methyl-N-phenylpiperazine-1-carboxamide
CID 42714702
N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
CID 42714703
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 42719837
2-[1-[4-(2,2-diphenylacetyl)-3-methylpiperazin-1-yl]ethyl]-3-(4-ethoxyphenyl)quinazolin-4-one
CID 4642570
3-(4-ethoxyphenyl)-2-[1-(3-methyl-4-pentanoylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 42722333
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]propyl]quinazolin-4-one
CID 42714917
2-[1-[4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one
CID 42714662
N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
CID 42714708
2-[1-[4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-1-yl]ethyl]-3-(4-ethoxyphenyl)quinazolin-4-one
CID 11649790

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one?
The IUPAC name of 3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one (CID 42719950) is 3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one is CCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N1CCN(C(=O)c2ccc3ccccc3c2)C(C)C1.
What is the InChIKey of 3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one?
The InChIKey is GANQGXFBFBJXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31BrN4O2/c1-3-30(31-35-29-11-7-6-10-28(29)33(40)38(31)27-16-14-26(34)15-17-27)36-18-19-37(22(2)21-36)32(39)25-13-12-23-8-4-5-9-24(23)20-25/h4-17,20,22,30H,3,18-19,21H2,1-2H3.
What are the key properties of 3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one?
3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one has a molecular weight of 595.54 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-[1-[3-methyl-4-(naphthalene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 42719950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).