2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide

C17H20BrN3O2 — CID 2573004

IUPAC2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)COc1ncnc2ccc(Br)cc12
InChIInChI=1S/C17H20BrN3O2/c1-11-4-2-3-5-14(11)21-16(22)9-23-17-13-8-12(18)6-7-15(13)19-10-20-17/h6-8,10-11,14H,2-5,9H2,1H3,(H,21,22)/t11-,14+/m0/s1
InChIKeyLRHDJUIXGAPGJC-SMDDNHRTSA-N
MW378.27 g/mol
LogP3.47
Rot. Bonds4

About 2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide

2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide (PubChem CID 2573004) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
PubChem CID2573004
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC Name2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H]1CCCC[C@H]1NC(=O)COc1ncnc2ccc(Br)cc12
InChIInChI=1S/C17H20BrN3O2/c1-11-4-2-3-5-14(11)21-16(22)9-23-17-13-8-12(18)6-7-15(13)19-10-20-17/h6-8,10-11,14H,2-5,9H2,1H3,(H,21,22)/t11-,14+/m0/s1
InChIKeyLRHDJUIXGAPGJC-SMDDNHRTSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-bromoquinazolin-4-yl)oxy-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 55321416
N-[(1S,2S)-2-methylcyclohexyl]-2-quinazolin-4-yloxyacetamide
CID 2693322
N-(2-methylcyclohexyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
CID 3249198
2-(4-bromo-2-formylphenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7819985
2-(4-bromo-2-formylphenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7819987
2-(4-bromophenoxy)-N-(2-methylcyclohexyl)acetamide;oxalic acid
CID 171154743
2-(6-bromoquinazolin-4-yl)oxy-N-(3,4-dimethylphenyl)acetamide
CID 4792649
N-(2-methylcyclohexyl)-2-(2-methylquinazolin-4-yl)oxyacetamide
CID 17411616
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-bromo-2-fluorobenzoate
CID 8803515
2-(6-bromoquinazolin-4-yl)oxy-N-(2,3-dimethylphenyl)acetamide
CID 2576960
N-[(1R,2R)-2-methylcyclohexyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9404813
methyl 3-[[2-(6-bromoquinazolin-4-yl)oxyacetyl]amino]benzoate
CID 55321531

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide (CID 2573004) is 2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide is C[C@H]1CCCC[C@H]1NC(=O)COc1ncnc2ccc(Br)cc12.
What is the InChIKey of 2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is LRHDJUIXGAPGJC-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c1-11-4-2-3-5-14(11)21-16(22)9-23-17-13-8-12(18)6-7-15(13)19-10-20-17/h6-8,10-11,14H,2-5,9H2,1H3,(H,21,22)/t11-,14+/m0/s1.
What are the key properties of 2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 378.27 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinazolin-4-yl)oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 2573004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).