2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine

C27H35BrN4O — CID 142230922

IUPAC2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine
SMILESCC1CCC(CNC(=O)Cc2ccccc2Br)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C16H22BrNO.C11H13N3/c1-12-6-8-13(9-7-12)11-18-16(19)10-14-4-2-3-5-15(14)17;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h2-5,12-13H,6-11H2,1H3,(H,18,19);4-7H,1-3H3
InChIKeyDHOYNGVFFRHSEA-UHFFFAOYSA-N
MW511.51 g/mol
LogP5.94
Rot. Bonds5

About 2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine

2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142230922) has the molecular formula C27H35BrN4O and a molecular weight of 511.51 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine
PubChem CID142230922
Molecular FormulaC27H35BrN4O
Molecular Weight511.51 g/mol
Exact Mass510.20
IUPAC Name2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine
SMILESCC1CCC(CNC(=O)Cc2ccccc2Br)CC1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C16H22BrNO.C11H13N3/c1-12-6-8-13(9-7-12)11-18-16(19)10-14-4-2-3-5-15(14)17;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h2-5,12-13H,6-11H2,1H3,(H,18,19);4-7H,1-3H3
InChIKeyDHOYNGVFFRHSEA-UHFFFAOYSA-N
XLogP5.94
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.51
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine
CID 142229573
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230633
1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142230163
5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine
CID 142228408
1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
CID 142230066
N-[(4-ethylcyclohexyl)methyl]-4-phenoxybutanamide;N,N,2-trimethylquinazolin-4-amine
CID 142230983
4-acetyl-N-[(4-ethylcyclohexyl)methyl]benzamide;N,N,2-trimethylquinazolin-4-amine
CID 142229164
1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine
CID 142229379
N-[[4-(difluoromethyl)phenyl]methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230510
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142229717
2-[[(4-ethylcyclohexyl)methylamino]methyl]-6-methylphenol;N,N,2-trimethylquinazolin-4-amine
CID 142230775
1-(4-propylcyclohexyl)-N-(quinolin-4-ylmethyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142229295

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine?
The IUPAC name of 2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine (CID 142230922) is 2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine.
What is the SMILES notation for 2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine?
The canonical SMILES for 2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine is CC1CCC(CNC(=O)Cc2ccccc2Br)CC1.Cc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of 2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine?
The InChIKey is DHOYNGVFFRHSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO.C11H13N3/c1-12-6-8-13(9-7-12)11-18-16(19)10-14-4-2-3-5-15(14)17;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h2-5,12-13H,6-11H2,1H3,(H,18,19);4-7H,1-3H3.
What are the key properties of 2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine?
2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 511.51 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142230922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).